1KSO

CRYSTAL STRUCTURE OF APO S100A3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-03-20
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	P 31
Unit cell lengths	58.769, 58.769, 45.338
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.194
Rwork	0.194
R-free	0.22500
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	18.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.038 *	0.300 *
Total number of observations	34465 *
Number of reflections	19298 *
Completeness [%]	98.2	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	tris, ammonium sulfate, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 20K
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	tris, ammonium sulfate, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 20K