1FA7

CRYSTAL STRUCTURE OF CD(II)-BOUND GLYOXALASE I OF ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-25
Detector	RIGAKU RAXIS II
Spacegroup name	P 1 21 1
Unit cell lengths	45.930, 56.390, 46.790
Unit cell angles	90.00, 95.24, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.177 *
Rwork	0.177
R-free	0.28100
RMSD bond length	0.007
RMSD bond angle	1.580 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.102 *	0.276 *
Total number of observations	47320 *
Number of reflections	19871
<I/σ(I)>	8.7
Completeness [%]	90.3	90
Redundancy	3.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5	298	PEG 1000, PEG 8000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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 (%)