1JLQ

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94

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
Spacegroup name	P 21 21 21
Unit cell lengths	141.100, 110.900, 73.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 3.000
R-factor	0.219
Rwork	0.219
R-free	0.26700
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	3.090
High resolution limit [Å]	2.980	2.980
Rmerge	0.146
Total number of observations	74167 *
Number of reflections	23124	2219 *
<I/σ(I)>	7.5	0.86
Completeness [%]	96.1	93.7
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5	4 *	Stammers, D.K., (1994) J.Mol.Biol., 242, 586. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	26 (mg/ml)
2	1	drop	PEG3400	6 (%(w/v))
3	1	drop	citrate/phosphate
4	1	reservoir	PEG3400	6 (%(w/v))