9PGS

HIV Capsid Hexamer bound to Compound 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	93.870, 156.560, 118.920
Unit cell angles	90.00, 97.82, 90.00

Refinement procedure

Resolution	47.720 - 2.400
R-factor	0.2192
Rwork	0.219
R-free	0.26060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.527
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	2.460
High resolution limit [Å]	2.398	2.398
Rmerge	0.110
Number of reflections	258925	17980
<I/σ(I)>	6.37
Completeness [%]	99.1
Redundancy	2
CC(1/2)	0.994	0.165

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	30% PEG 8000, 0.1M sodium malonate