9PGV

HIV Capsid Hexamer bound to Compound 24

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 1 21 1
Unit cell lengths	94.740, 156.550, 119.230
Unit cell angles	90.00, 97.05, 90.00

Refinement procedure

Resolution	47.510 - 2.300
R-factor	0.2321
Rwork	0.232
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.502
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]	47.510	2.350
High resolution limit [Å]	2.296	2.296
Rmerge	0.067	1.441
Number of reflections	302778	21204
<I/σ(I)>	8.84	0.65
Completeness [%]	99.8
Redundancy	8.84
CC(1/2)	0.998	0.267

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	12% PEG 8000, 100 mM sodium malonate