4YSH

Crystal structure of glycine oxidase from Geobacillus kaustophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-02-01
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	87.945, 87.945, 413.456
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.2345
Rwork	0.233
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1RYI
RMSD bond length	0.009
RMSD bond angle	1.344
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.096	0.064	0.417
Rmeas	0.098	0.066	0.426
Rpim	0.022	0.016	0.089
Total number of observations	1006443
Number of reflections	48899
<I/σ(I)>	11.5		10.5
Completeness [%]	98.6	90.2	99.7
Redundancy	20.6	15.9	22.2
CC(1/2)		0.997	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	298	0.1 M phosphate-citrate buffer, 7% 2-propanol, 0.4 M LiSO4