9EEG

Room-temperature X-ray structure of HIV-1 protease in complex with GRL-11124A inhibitor

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	2024-09-06
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.56
Spacegroup name	P 21 21 2
Unit cell lengths	60.034, 87.576, 46.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.250 - 1.700
R-factor	0.1779
Rwork	0.176
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.120
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]	87.580	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.067	0.721
Number of reflections	27513	2733
<I/σ(I)>	21.7	1.35
Completeness [%]	99.6	98.7
Redundancy	6.8	6.7
CC(1/2)	0.956	0.649

Crystallization Conditions

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