1C1C

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123

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	1997-02-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	136.800, 109.500, 71.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.227
Rwork	0.232
R-free	0.31500
RMSD bond length	0.007
RMSD bond angle	1.400
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]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.104	0.474
Total number of observations	99833 *
Number of reflections	35239	3319 *
<I/σ(I)>	7.7
Completeness [%]	92.7	80 *
Redundancy	2.8	2.2

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