2JI7

X-ray structure of Oxalyl-CoA decarboxylase with covalent reaction intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-09
Detector	ADSC CCD
Spacegroup name	P 31 2 1
Unit cell lengths	126.181, 126.181, 151.938
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.820
R-factor	0.151
Rwork	0.150
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c31
RMSD bond length	0.008
RMSD bond angle	1.425
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.000	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.090	0.480
Number of reflections	124184
<I/σ(I)>	10.2	2
Completeness [%]	99.2	99.9
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1