1S6P

CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	FUJI
Spacegroup name	C 1 2 1
Unit cell lengths	226.700, 67.400, 104.300
Unit cell angles	90.00, 107.00, 90.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.245
Rwork	0.245
R-free	0.31200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.098
Number of reflections	31923
Completeness [%]	91.9	80.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8		pH 6.80