6L0U

Crystal structure of mouse glyoxalase I complexed with a small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	41.785, 64.635, 65.794
Unit cell angles	90.00, 101.58, 90.00

Refinement procedure

Resolution	23.160 - 1.950
R-factor	0.1989
Rwork	0.197
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2za0
RMSD bond length	0.008
RMSD bond angle	1.247
Data scaling software	HKL-3000
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.067	0.041	0.572
Rmeas	0.073	0.044	0.624
Rpim	0.028	0.017	0.246
Total number of observations	167399
Number of reflections	25098	2580	2507
<I/σ(I)>	5.3
Completeness [%]	100.0	100	100
Redundancy	6.7	6.5	6.2
CC(1/2)		0.999	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	0.1 M MES pH 6.0, 12% (w/v) PEG2000, 16% v/v 2-Propanol