1JLG

CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-12-13
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	138.000, 109.800, 73.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.600
R-factor	0.214 *
Rwork	0.220
R-free	0.29200
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	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.061
Total number of observations	94725 *
Number of reflections	33717	3210 *
<I/σ(I)>	9.6	1.2
Completeness [%]	95.9	92.9
Redundancy	2.8

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))