1F9Z

CRYSTAL STRUCTURE OF THE NI(II)-BOUND GLYOXALASE I FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	1999-05-30
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	46.047, 56.478, 46.705
Unit cell angles	90.00, 95.44, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.205 *
Rwork	0.205
R-free	0.27200
RMSD bond length	0.010
RMSD bond angle	1.987
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.570
High resolution limit [Å]	1.500	1.490
Rmerge	0.069	0.290
Total number of observations	116872 *
Number of reflections	38619
<I/σ(I)>	12.8
Completeness [%]	99.0	98
Redundancy	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	PEG1000, PEG8000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12-37 (mg/ml)
2	1	reservoir	PEG1000	5-10 (%)
3	1	reservoir	PEG8000	5-10 (%)