Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus

Retrovirology

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

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 ^a_merge	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)
R_free 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 statistics^d
Residues in favored regions (%)	96.7		99.4
Residues in allowed regions (%)	1.6		0.0
PDB ID			4ZV5

The data in parentheses refer to the highest-resolution shell
^aR_merge = \(\sum\nolimits_{\text{hkl}} \sum\nolimits_{\text{i}} I_{\text{i}} \left( {\text{hkl}} \right) \, - \langle {I\left( {\text{hkl}} \right) \rangle |/\sum\nolimits_{\text{hkl}} \sum\nolimits_{\text{i}} I_{\text{i}} \left( {\text{hkl}} \right)}\), 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
^bR-value = ||F _o| − |F _c||/|F _o|, where F _o and F _c are the observed and calculated structure factors, respectively
^cR_free is equivalent to R-value but is calculated for 5 % of the reflections chosen at random and omitted from the refinement process
^dDetermined by MolProbity

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