3VZ0

Structural insights into cofactor and substrate selection by Gox0499

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791, 0.9793, 0.96
Spacegroup name	P 21 21 2
Unit cell lengths	92.523, 254.602, 76.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.490 - 2.300
R-factor	0.18943
Rwork	0.187
R-free	0.24410
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.319
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	77510
Completeness [%]	100.0	100
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	PEG 500, CaCl2, Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K