1FA6

CRYSTAL STRUCTURE OF THE CO(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	2000-04-12
Detector	RIGAKU RAXIS II
Spacegroup name	P 1 21 1
Unit cell lengths	46.090, 56.570, 46.750
Unit cell angles	90.00, 95.54, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.169 *
Rwork	0.169
R-free	0.25400
RMSD bond length	0.005
RMSD bond angle	1.439
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	0.050	0.110
Total number of observations	116932 *
Number of reflections	17383
<I/σ(I)>	33.2
Completeness [%]	90.0	88.7
Redundancy	4.9	2.9

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 (%)