1RT2

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BL19
Synchrotron site	ESRF
Beamline	BL19
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-10-22
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	137.300, 110.200, 72.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.550
R-factor	0.207
Rwork	0.207
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RT-MKC-442(1RT1)
RMSD bond length	0.010
RMSD bond angle	24.218 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.067	0.279
Total number of observations	233000 *
Number of reflections	30972	2508 *
<I/σ(I)>	17.3	2.9
Completeness [%]	85.3	70.6
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5	4 *	pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG3400	6 (%)
2	1	drop	citric acid	24.25 (mM)
3	1	drop		51.5 (mM)
4	1	reservoir	PEG3400	46 (%)