1LWE

CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-19
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.488
Spacegroup name	P 21 21 21
Unit cell lengths	139.700, 111.300, 74.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.800 *
R-factor	0.202 *
Rwork	0.213
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.690 *
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	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.066
Total number of observations	106768 *
Number of reflections	27248	2197 *
<I/σ(I)>	14.5	1.6
Completeness [%]	93.9	77
Redundancy	3.9

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