2W0U

CRYSTAL STRUCTURE OF HUMAN GLYCOLATE OXIDASE IN COMPLEX WITH THE INHIBITOR 5-[(4-CHLOROPHENYL)SULFANYL]- 1,2,3-THIADIAZOLE-4-CARBOXYLATE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	110
Detector technology	CCD
Collection date	2007-08-26
Detector	ADSC CCD
Spacegroup name	P 4 21 2
Unit cell lengths	138.690, 138.690, 186.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 2.840
R-factor	0.207
Rwork	0.205
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nzl
RMSD bond length	0.009
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.400
High resolution limit [Å]	2.800
Rmerge	0.090
Number of reflections	43574
Completeness [%]	100.0
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		CRYSTALLISATION WAS PERFORMED BY THE HANGING DROP VAPOR DIFFUSION METHOD, USING A PRECIPITANT SOLUTION CONTAINING 200 MM NACL, 100 MM MMT AT PH 7.5, AND 15% (W/V) POLYETHYLENE GLYCOL 1000