5VZ6

HIV Reverse Transcriptase complexed with (E)-3-(pyrimidin-2-yl)-N-(5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl)acrylamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-26
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	118.080, 154.710, 155.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.259 - 2.600
R-factor	0.223
Rwork	0.221
R-free	0.26400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.259
High resolution limit [Å]	2.600
Number of reflections	42549
<I/σ(I)>	32.7
Completeness [%]	96.0
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	298	Sodium citrate, pH 6.1