6RZ0

Crystal structure of Escherichia coli Glyoxalase II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	59.382, 63.383, 72.726
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.783 - 1.100
R-factor	0.1193
Rwork	0.119
R-free	0.12810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qed
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.790	47.790	1.040
High resolution limit [Å]	0.990	3.120	0.990
Rmerge	0.059	0.055	0.382
Rmeas	0.062	0.058	0.458
Rpim	0.018	0.016	0.244
Total number of observations	1447737	61202	24202
Number of reflections	135359	5247	7792
<I/σ(I)>	24.9	41.8	3.5
Completeness [%]	87.4	99.8	35
Redundancy	10.7	11.7	3.1
CC(1/2)	0.999	0.997	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.1 M CAPS/NaOH pH 10.5, 0.2 M NaCl, 20% PEG 8000