1A5V

ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1997-08-05
Detector	MAC Science DIP-2000
Spacegroup name	P 43 21 2
Unit cell lengths	66.444, 66.444, 81.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.152
Rwork	0.152
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1asv
RMSD bond length	0.012
RMSD bond angle	23.300 *
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	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.066 *
Total number of observations	92081 *
Number of reflections	14653
<I/σ(I)>	16.5
Completeness [%]	98.2	98.1
Redundancy	6.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		20% PEG 4000, 10% ISOPROPANOL, 0.1M NA HEPES, PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	100 (mM)
2	1	reservoir	isopropanol	10 (%)
3	1	reservoir	PEG4000	20 (%)
4	1	drop	protein	6-7.5 (mg/ml)