1LW2

CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91

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	137.300, 115.200, 64.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 3.000
R-factor	0.189 *
Rwork	0.205
R-free	0.27000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.610 *
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	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.111
Total number of observations	91720 *
Number of reflections	21006	1996 *
<I/σ(I)>	8.3	1
Completeness [%]	98.6	95.3
Redundancy	4.4

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	reservoir	PEG3400	6 (%(w/v))
4	1	drop	citrate/phosphate