7N6T

Crystal structure of inhibitor-free HIV-1 PRS17 revertant mutant PRS17 V48G

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	2020-02-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 41
Unit cell lengths	45.340, 45.340, 105.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.350 - 1.320
R-factor	0.1592
Rwork	0.158
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z4x
RMSD bond length	0.019
RMSD bond angle	2.194
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.370
High resolution limit [Å]	1.320	2.840	1.320
Rmerge	0.056	0.050	0.528
Rmeas	0.064	0.056	0.614
Rpim	0.029	0.025	0.306
Total number of observations	228228
Number of reflections	48738	5018	4312
<I/σ(I)>	15.5
Completeness [%]	97.6	99.2	86.1
Redundancy	4.7	5.2	3.3
CC(1/2)		0.995	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.2 M sodium citrate tribasic dihydrate, 0.1 M HEPES pH 7.5, 20% w/v 2-propanol