7WT0

human glyoxalase I (with C-ter His tag) in complex with TLSC702

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2020-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98000
Spacegroup name	P 1 21 1
Unit cell lengths	53.689, 81.971, 46.927
Unit cell angles	90.00, 93.85, 90.00

Refinement procedure

Resolution	19.790 - 2.000
R-factor	0.1898
Rwork	0.186
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vw9
RMSD bond length	0.008
RMSD bond angle	1.459
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.780
Number of reflections	27285	3978
<I/σ(I)>	10.7	1.6
Completeness [%]	99.4	99.3
Redundancy	3.5
CC(1/2)	0.998	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M MgCl2, 0.1 M Bis-Tris, 25% PEG3350