3M47

Crystal structure of the mutant I218A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	56.905, 56.908, 125.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.700 - 1.200
R-factor	0.2276
Rwork	0.227
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g18
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.700
High resolution limit [Å]	1.200
Rmerge	0.083
Number of reflections	98323
Completeness [%]	77.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	60% Tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K