7MN0

N74D mutant of the HIV-1 capsid protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-10-15
Detector	RDI CMOS_8M
Wavelength(s)	1.000030
Spacegroup name	P 6
Unit cell lengths	91.741, 91.741, 57.163
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.870 - 2.900
R-factor	0.2222
Rwork	0.219
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfx
RMSD bond length	0.019
RMSD bond angle	1.904
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.870	45.870	3.080
High resolution limit [Å]	2.900	8.710	2.900
Rmerge	0.123	0.034	1.134
Rmeas	0.129	0.036	1.191
Rpim	0.039	0.011	0.364
Total number of observations	69089	2539	10578
Number of reflections	6190	247	999
<I/σ(I)>	16.7	63.6	2.1
Completeness [%]	99.8	98.7	99.4
Redundancy	11.2	10.3	10.6
CC(1/2)	0.999	1.000	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, NaI, Sodium Cacodylate, Glycerol