1CZ9

ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN (D64N) FROM CITRATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1998-03-21
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	66.560, 66.560, 78.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.200
R-factor	0.146
Rwork	0.147
R-free	0.15000
Structure solution method	AB INITIO
RMSD bond length	0.020
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.060
Total number of observations	345764 *
Number of reflections	53915 *
<I/σ(I)>	28.4
Completeness [%]	97.1	90.4
Redundancy	6.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	277	Bujacz, G., (1995) J. Mol. Biol., 253, 333. *

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	drop	protein	6-7.5 (mg/ml)
4	1	reservoir	PEG4000	20 (%)