6P9B

HIV-1 Protease multiple drug resistant mutant PRS5B with Amprenavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	73.663, 73.663, 94.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.330 - 1.750
R-factor	0.18366
Rwork	0.182
R-free	0.21731
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nu3
RMSD bond length	0.011
RMSD bond angle	1.897
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.059	0.489
Rmeas	0.068	0.568
Rpim	0.033	0.284
Number of reflections	26189	2497
<I/σ(I)>	20.3	2.8
Completeness [%]	100.0	95
Redundancy	4.1	3.7
CC(1/2)	1.000	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	292	1.8 M Ammonium Phosphate and 100 mM Tris buffer at pH 7.9.