1FKP

CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE

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	1997-12-02
Detector	FUJI
Spacegroup name	P 21 21 21
Unit cell lengths	139.700, 109.800, 72.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.209
Rwork	0.215
R-free	0.28100
RMSD bond length	0.010
RMSD bond angle	1.600
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	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.151	0.571
Total number of observations	81694 *
Number of reflections	24586	2146 *
<I/σ(I)>	5.9
Completeness [%]	94.9	84.5
Redundancy	3.32	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	4 *	Ren, J., (1998) Proc.Natl.Acad.Sci.USA, 95, 9518. *

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	PEG	6 (%(w/v))