3JSM

K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with tenofovir-diphosphate as the incoming nucleotide substrate

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	2007-06-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9179
Spacegroup name	P 31 1 2
Unit cell lengths	170.310, 170.310, 155.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.170 - 3.000
R-factor	0.252
Rwork	0.252
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t05
RMSD bond length	0.009
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.156	0.563
Number of reflections	49501
<I/σ(I)>	5.6
Completeness [%]	95.8	82.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	10% PEG 8000, 100 MM AMMONIUM SULFATE, 20 MM MGCL2, 5% GLYCEROL, 5% SUCROSE, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K