3IF9

Crystal structure of Glycine Oxidase G51S/A54R/H244A mutant in complex with inhibitor glycolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-23
Detector	RAYONIX MX-225
Wavelength(s)	1.04063
Spacegroup name	C 2 2 21
Unit cell lengths	72.344, 215.058, 217.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.250 - 2.600
R-factor	0.19866
Rwork	0.196
R-free	0.25654
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ryi
RMSD bond length	0.010
RMSD bond angle	1.309
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.250	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.086	0.344
Number of reflections	52481
<I/σ(I)>		10.7
Completeness [%]		100
Redundancy	10.1	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM Hepes/Na, pH 7.5, 28 % w/v PEG 400, 200mM CaCl2, 30mM glycolate/Na, 3 % glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 293K