6BNZ

Crystal structure of E144Q-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 41 21 2
Unit cell lengths	69.890, 69.890, 119.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.680 - 1.450
R-factor	0.20068
Rwork	0.199
R-free	0.23116
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d7z
RMSD bond length	0.018
RMSD bond angle	1.946
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.680	1.540
High resolution limit [Å]	1.450	1.450
Rmeas	0.068	1.946
Number of reflections	53199	8395
<I/σ(I)>	18.5	1.2
Completeness [%]	99.7	98.9
Redundancy	12.97	13.3
CC(1/2)	0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.7	294	sodium formate 4.0 M pH 9.7, 0.5% PEG 4000