1JLA

CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1997-11-26
Detector	FUJI
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	140.400, 111.200, 73.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 2.500
R-factor	0.203
Rwork	0.203
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.400
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	0.156
Number of reflections	40014
<I/σ(I)>	7.3	0.9
Completeness [%]	99.2	98.1
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	pH 5.00, VAPOR DIFFUSION, SITTING DROP, temperature 277K