1RT1

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1994-11-05
Detector	MAR scanner 180 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	136.800, 109.800, 72.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.550
R-factor	0.197
Rwork	0.197
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A COMBINED MODEL RT-NEVIRAPINE(1VRT) AND APO-RT(1RTJ)
RMSD bond length	0.010
RMSD bond angle	24.306 *
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]	30.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.075	0.218
Total number of observations	336340 *
Number of reflections	34717	3160 *
<I/σ(I)>	22.7	3.4
Completeness [%]	95.6	89.5
Redundancy	9.7

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 (%)