2B6A

Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	268
Detector technology	IMAGE PLATE
Detector	FUJI
Wavelength(s)	0.918
Spacegroup name	C 1 2 1
Unit cell lengths	227.706, 70.168, 106.630
Unit cell angles	90.00, 105.82, 90.00

Refinement procedure

Resolution	20.000 - 2.650
Rwork	0.226
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hnv
RMSD bond length	0.012
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.500
Rmerge	0.087
Number of reflections	49714
Completeness [%]	88.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	296	PEG8000, AMMINIUM SULPHATE, SODIUM CHLORIDE, pH 6.8, VAPOR DIFFUSION, temperature 296K