1JKH

CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-08
Detector	MARRESEARCH
Wavelength(s)	0.9310
Spacegroup name	P 21 21 21
Unit cell lengths	138.500, 109.000, 73.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.500
R-factor	0.236
Rwork	0.236
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.069
Number of reflections	38709
<I/σ(I)>	20.5	1.2
Completeness [%]	98.7	97.4
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K