4PV5

Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-18
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	41.825, 64.819, 63.483
Unit cell angles	90.00, 104.09, 90.00

Refinement procedure

Resolution	22.258 - 2.300
R-factor	0.1801
Rwork	0.177
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2za0
RMSD bond length	0.008
RMSD bond angle	1.278
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.860	24.780	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.024	0.514
Number of reflections	16786
Completeness [%]	99.8	95.8	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	289	30% PEG 2000, 50mM MES, 0.1M NaCl, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K