9OBI

Room Temperature X-Ray Structure of HIV-1 Protease in Complex with Inhibitor GRL-075-24A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	PIXEL
Collection date	2025-01-09
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	68.088, 69.487, 89.433
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	27.320 - 1.700
R-factor	0.1696
Rwork	0.168
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.107
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.430	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.082	0.442
Rpim	0.051	0.328
Number of reflections	91426	8892
<I/σ(I)>	14.37	1.9
Completeness [%]	99.5	96.8
Redundancy	3.5	2.6
CC(1/2)	0.958	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	0.1M MES, pH 6.0, 0.7-1.0M NaCl