9KEE

human glyoxalase I (with C-ter His tag) in complex with licochalcone B, form 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.018
Spacegroup name	P 1 21 1
Unit cell lengths	69.258, 66.149, 42.068
Unit cell angles	90.00, 99.69, 90.00

Refinement procedure

Resolution	19.875 - 2.080
Rwork	0.166
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.464
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.880	2.120
High resolution limit [Å]	2.080	2.080
Rmerge	0.110	0.296
Number of reflections	22600	1115
<I/σ(I)>	13.8
Completeness [%]	100.0	100
Redundancy	3.4	3.6
CC(1/2)	0.989	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M Sodium chloride, 0.1 M Bis-Tris, 25%(w/v) PEG 3350