1C1B

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186

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	1996-04-15
Detector	FUJI
Spacegroup name	P 21 21 21
Unit cell lengths	140.000, 111.500, 73.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.191
Rwork	0.198
R-free	0.25500
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.153	0.673
Total number of observations	179492 *
Number of reflections	37000
<I/σ(I)>	7.6
Completeness [%]	91.8	68.4
Redundancy	4.9	1.8

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