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Table 1 Crystal parameters, data collection statistics, and refinement statistics

From: Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus

Crystal Native I soaked Native
Data collection statistics
 Space group P3 1 21 P3 1 21 P3 1 21
 Cell parameters (Å, °) 61.90 61.90 89.89
90.0 90.0 120.0
61.88 61.88 89.84
90.0 90.0 120.0
61.92 61.92 90.05
90.0 90.0 120.0
 Wavelength (Å) 1.5000 1.5000 0.9184
 Resolution (Å) 46.04–1.90 (2.01–1.90) 46.02–1.86 (1.97–1.86) 46.08–1.57 (1.66–1.57)
 Number of unique reflections 15674 (2178) 17201 (2727) 28486 (4526)
 Multiplicity 5.7 (5.2) 4.9 (3.9) 6.2 (5.7)
 Completeness (%) 98.4 (84.3) 99.7 (99.2) 99.7 (99.1)
 R amerge 3.6 (20.1) 6.0 (32.8) 3.9 (66.7)
 Average I/σ(I) 29.9 (7.7) 15.9 (3.4) 23.9 (2.4)
 Wilson B (Å2) 30.6 35.5 30.3
Refinement statistics
 Resolution range (Å) 34.44–1.90 (1.95–1.90)   46.08–1.57 (1.61–1.57)
 No. of reflections in working set 14,890 (696)   25616 (1826)
 No. of reflections in test set 748 (36)   1423 (92)
 R value (%)b 26.0 (60.7)   22.6 (29.4)
 Rfree value (%)c 32.4 (70.7)   26.3 (33.4)
 RMSD bond length (Å) 0.024   0.012
 RMSD angle (º) 2.66   1.6
 Number of atoms in AU 1534   1634
 Number of protein atoms in AU 1494   1512
 Number of water molecules in AU 40   94
 Mean B value (Å2) 23.4   24.2
Ramachandran plot statisticsd
 Residues in favored regions (%) 96.7   99.4
 Residues in allowed regions (%) 1.6   0.0
 PDB ID    4ZV5
  1. The data in parentheses refer to the highest-resolution shell
  2. aRmerge = \(\sum\nolimits_{\text{hkl}} \sum\nolimits_{\text{i}} I_{\text{i}} \left( {\text{hkl}} \right) \, - \langle {I\left( {\text{hkl}} \right) \rangle |/\sum\nolimits_{\text{hkl}} \sum\nolimits_{\text{i}} I_{\text{i}} \left( {\text{hkl}} \right)}\), where \(I_{\text{i}} \left( {\text{hkl}} \right)\) is the individual intensity of the ith observation of reflection hkl and \(\left\langle {I_{\text{i}} \left( {\text{hkl}} \right)} \right\rangle\) is the average intensity of reflection hkl with summation over all data
  3. bR-value = ||F o| − |F c||/|F o|, where F o and F c are the observed and calculated structure factors, respectively
  4. cRfree is equivalent to R-value but is calculated for 5 % of the reflections chosen at random and omitted from the refinement process
  5. dDetermined by MolProbity