1R11

Structure Determination of the Dimeric Endonuclease in a Pseudo-face-centerd P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-3
Synchrotron site	SSRL
Beamline	BL9-3
Temperature [K]	100
Detector technology	CCD
Collection date	1998-11-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	52.412, 74.169, 84.855
Unit cell angles	90.00, 106.13, 90.00

Refinement procedure

Resolution	20.000 * - 2.000 *
R-factor	0.2369
Rwork	0.231
R-free	0.22900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.163 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.088 *	0.352 *
Number of reflections	77465 *
Completeness [%]	90.8 *	76.5 *
Redundancy	3.89 *	2.46 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.6		100 mM Na-cacodylic acid pH 6.5 - 6.8, 20 mM (NH4)2SO4, 300-400 mM NaCH2COOH, pH 6.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir	sodium cacodylate	100 (mM)	pH6.5-6.8
3	1	reservoir	ammonium sulfate	20 (mM)
4	1	reservoir	sodium acetate	300-400 (mM)