1A5W

ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1997-06-04
Detector	MACSCIENCE
Spacegroup name	P 43 21 2
Unit cell lengths	66.707, 66.707, 81.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.151
Rwork	0.151
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1asv
RMSD bond length	0.011
RMSD bond angle	23.310 *
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	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.072 *	0.379 *
Total number of observations	93168 *
Number of reflections	12682
<I/σ(I)>	10.5
Completeness [%]	99.0	88.2
Redundancy	7.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.6		20% PEG 4000, 10% ISOPROPANOL, 0.1M NA CITRATE PH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6-7.5 (mg/ml)
2	1	drop	inhibitor	0.1 (M)
3	1	drop	citrate
4	1	reservoir	isopropanol	10 (%)
5	1	reservoir	PEG4000	20 (%)