3KLG

Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	79.120, 154.400, 277.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.970 - 3.650
R-factor	0.312
Rwork	0.312
R-free	0.35000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtd
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.750
High resolution limit [Å]	3.650	3.650
Rmerge	0.137	0.786
Number of reflections	32271
Completeness [%]	83.9	49.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.4		50 MM BIS-TRIS PROPANE PH 5.6, 10% PEG8000, 0.3 M (NH4)2SO4, 5% GLYCEROL, 5% SUCROSE, 20 MM MGCL2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277.0K