9PGT

HIV Capsid Hexamer bound to Compound 12

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	2010-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	93.800, 156.660, 118.870
Unit cell angles	90.00, 97.75, 90.00

Refinement procedure

Resolution	47.740 - 2.200
R-factor	0.2261
Rwork	0.226
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.500
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]	47.740	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.067	1.369
Rmeas	0.092
Rpim	0.063
Number of reflections	335647	22514
<I/σ(I)>	7.69
Completeness [%]	99.5
Redundancy	1.9
CC(1/2)	0.998	0.232

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	12% PEG 8K, 0.1M sodium malonate