1NU7

Staphylocoagulase-Thrombin Complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-01
Detector	MARRESEARCH
Wavelength(s)	1.0085, 1.0050, 0.9200
Spacegroup name	C 1 2 1
Unit cell lengths	180.170, 102.000, 135.300
Unit cell angles	90.00, 130.08, 90.00

Refinement procedure

Resolution	14.990 - 2.200
R-factor	0.209
Rwork	0.209
R-free	0.24900
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.200
Rmerge	0.044 *	0.232 *
Number of reflections	95248 *
Completeness [%]	97.4 *	96.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100mM imidazole, 200mM sodium formate, 12%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	imidazole	100 (%(v/v))	pH7.5
2	1	reservoir	sodium formate	200 (mM)
3	1	reservoir	PEG4000	12 (%(w/v))