2ITG

CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-04-05
Detector	RIGAKU
Spacegroup name	P 31 2 1
Unit cell lengths	72.400, 72.400, 65.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.2 *
Rwork	0.200
Structure solution method	MR
Starting model (for MR)	1itg
RMSD bond length	0.011
RMSD bond angle	0.032
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.281
Total number of observations	14682 *
Number of reflections	5012
<I/σ(I)>	8.63	1.88
Completeness [%]	79.8	54.4
Redundancy	2.93	1.38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	19 *	3-9% PEG 8000, 0.4M AMMONIUM SULFATE, 0.1M SODIUM CACODYLATE PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5-4 (mg/ml)
2	1	drop	sodium cacodylate	0.05 (M)
3	1	drop	ammonium sulfate	0.2 (M)
4	1	drop	PEG8000	1.5-4.5 (%)
5	1	reservoir	sodium cacodylate	0.1 (M)
6	1	reservoir	ammonium sulfate	0.4 (M)
7	1	reservoir	PEG8000	3-9 (%)