1JLF

CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-02
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	137.300, 109.200, 72.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.600
R-factor	0.237
Rwork	0.237
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]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.070
Number of reflections	33769
<I/σ(I)>	17.3	1.1
Completeness [%]	99.3	99.6
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5		pH 5.00