6UFI

W96Y Oxalate Decarboxylase (Bacillus subtilis)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	H 3 2
Unit cell lengths	155.270, 155.270, 124.088
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.447 - 1.720
R-factor	0.1497
Rwork	0.149
R-free	0.16610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tzp
RMSD bond length	0.006
RMSD bond angle	0.885
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.447	1.782
High resolution limit [Å]	1.717	1.720
Rmerge	0.089	0.380
Rmeas	0.022
Number of reflections	60978	60715
<I/σ(I)>	30.6	9.43
Completeness [%]	99.8	98.51
Redundancy	22.2	21.2
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	7% PEG8000, 100 mM Tris, 200 mM magnesium chloride, pH 7.0