8VB1

Crystal structure of HIV-1 protease with GS-9770

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]	170
Detector technology	PIXEL
Collection date	2017-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	46.493, 57.037, 85.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.470 - 1.300
R-factor	0.2005
Rwork	0.200
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	1.380
High resolution limit [Å]	1.300	1.300
Number of reflections	54560	4483
<I/σ(I)>	16.8
Completeness [%]	99.7
Redundancy	7.2
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2.25M ammonium acetate 100mM MES pH 6.5