2B5J

Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	224.590, 69.300, 105.020
Unit cell angles	90.00, 106.47, 90.00

Refinement procedure

Resolution	19.920 - 2.900
R-factor	0.248
Rwork	0.248
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s6q
RMSD bond length	0.009
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.046	0.324
Number of reflections	33078
<I/σ(I)>	15.6
Completeness [%]	95.4	83.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	277	PEG8000, AMMINIUM SULPHATE, SODIUM CHLORIDE, Manganese Chloride, pH 6.8, VAPOR DIFFUSION, temperature 277K