1KLM

HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID2
Synchrotron site	ESRF
Beamline	ID2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-11
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	136.800, 109.400, 72.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.650
R-factor	0.237
Rwork	0.237
R-free	0.31300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RT-MKC-442 COMPLEX
RMSD bond length	0.006
RMSD bond angle	24.000 *
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	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.103	0.439
Total number of observations	83791 *
Number of reflections	27792	2086 *
<I/σ(I)>	10.4	1.5
Completeness [%]	86.8	69
Redundancy	3.01	2.54

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