3WPM

Crystal structure of the anaerobic DesB-gallate complex by co-crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2012-05-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9800
Spacegroup name	P 1 21 1
Unit cell lengths	58.105, 64.185, 117.896
Unit cell angles	90.00, 97.19, 90.00

Refinement procedure

Resolution	43.893 - 2.500
R-factor	0.229
Rwork	0.225
R-free	0.29570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wku
RMSD bond length	0.009
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.300	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	29197
Completeness [%]	99.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.75	293	26% PEG8000, 0.1M sodium acetate, 0.1M HEPES-NaOH, pH 7.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K