3M44

Crystal structure of the mutant V201A 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	2009-09-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	56.806, 56.787, 125.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.760 - 1.400
R-factor	0.214
Rwork	0.213
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g18
RMSD bond length	0.006
RMSD bond angle	1.012
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]	33.760
High resolution limit [Å]	1.400
Rmerge	0.069
Number of reflections	73236
Completeness [%]	90.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.4M sodium malonate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K