7LQU

Crystal Structure of HIV-1 RT in Complex with NBD-14075

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	161.679, 73.050, 107.290
Unit cell angles	90.00, 99.58, 90.00

Refinement procedure

Resolution	47.900 - 2.600
R-factor	0.251
Rwork	0.248
R-free	0.30990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g1q
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3051)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.092	1.060
Rmeas	0.124	1.409
Rpim	0.083	0.924
Number of reflections	36440	4427
<I/σ(I)>	6.9	1.3
Completeness [%]	95.7	95.8
Redundancy	3.4
CC(1/2)	0.987	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	277	10% PEG 8,000, 4% PEG 400, 100 mM imidazole pH 6.6,10 mM spermine, 15 mM MgSO4,100 mM (NH4)2SO4, and 5 mM tris(2-carboxyethyl)phosphine(TCEP)