7BX9

Purification, characterization and X-ray structure of YhdA-type azoreductase from Bacillus velezensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	C 2 2 2
Unit cell lengths	73.430, 102.470, 65.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.970 - 1.380
R-factor	0.1317
Rwork	0.131
R-free	0.15150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gsw
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.1_3469)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.710	1.410
High resolution limit [Å]	1.380	1.380
Number of reflections	51008	2504
<I/σ(I)>	10	2
Completeness [%]	100.0
Redundancy	5.4
CC(1/2)	0.996	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289	0.05 M Potassium phosphate monobasic, 20% w/v Polyethylene glycol 8,000