3V6D

Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	89.476, 133.171, 139.904
Unit cell angles	90.00, 98.67, 90.00

Refinement procedure

Resolution	44.300 - 2.705
R-factor	0.2341
Rwork	0.233
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jsm
RMSD bond length	0.009
RMSD bond angle	1.274
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.089	0.051	0.625
Number of reflections	86184
<I/σ(I)>	11.6
Completeness [%]	98.4	91	97.2
Redundancy	3.9	4.1	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	277	PEG 8000, ammonium sulfate, sucrose, glycerol, magnesium chloride, pH 6.8, VAPOR DIFFUSION, temperature 277K