1QS4

Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1999-01-01
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	76.233, 46.735, 141.361
Unit cell angles	90.00, 105.55, 90.00

Refinement procedure

Resolution	38.070 - 2.100
R-factor	0.209
Rwork	0.209
R-free	0.25500
RMSD bond length	0.006
RMSD bond angle	1.190
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.051	0.274
Number of reflections	26564
<I/σ(I)>	10.4
Completeness [%]	94.2	81 *
Redundancy	2.12	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		Goldgur, Y., (1998) Proc. Natl. Acad. Sci. U.S.A., 95, 9150. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		0.5 (M)
4	1	drop	EDTA	1 (mM)
5	1	drop	dithiothreitol	5 (mM)
6	1	reservoir	PEG4000	30 (%)
7	1	reservoir	HEPES	100 (mM)
8	1	reservoir		5 (mM)
9	1	reservoir	dithiothreitol	5 (mM)