5VG3

Structure of Oxalate Decarboxylase from Bacillus subtilis at pH 4.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	108.484, 156.657, 79.574
Unit cell angles	90.00, 119.28, 90.00

Refinement procedure

Resolution	35.210 - 1.451
R-factor	0.1551
Rwork	0.154
R-free	0.17670
RMSD bond length	0.005
RMSD bond angle	0.862
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.210	1.503
High resolution limit [Å]	1.451	1.451
Rmerge	0.097	0.575
Rpim	0.056	0.336
Number of reflections	203372	20279
<I/σ(I)>	8.78	2.11
Completeness [%]	99.9	99.8
Redundancy	4	3.9
CC(1/2)	0.992	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.1 M sodium acetate trihydrate, 0.2 M sodium chloride, 30% v/v MPD