1J2U

Creatininase Zn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-23
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	102.114, 151.449, 167.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.850
R-factor	0.18707
Rwork	0.186
R-free	0.20100 *
Structure solution method	D-Fourier
RMSD bond length	0.008 *
RMSD bond angle	1.072 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.850	1.850
Rmerge	0.047	0.335
Number of reflections	218133
<I/σ(I)>	10.7
Completeness [%]	98.9	99.7
Redundancy	4.8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.5M Li sulfate, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	35 (mg/ml)
2	1	drop	HEPES	0.1 (M)	pH7.5
3	1	reservoir	lithium sulfate	1.5 (M)
4	1	reservoir	HEPES	0.1 (M)	pH7.5