7F2Z

Crystal structure of OxdB E85A mutant (form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 32 2 1
Unit cell lengths	62.662, 62.662, 359.273
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.920 - 2.300
R-factor	0.184
Rwork	0.182
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a15
RMSD bond length	0.008
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.919	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.077	0.827
Number of reflections	37816	3621
<I/σ(I)>	21.1	2.37
Completeness [%]	99.8	98.4
Redundancy	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M sodium citrate and 0.1M sodium cacodylate pH6.5