3V1P

Crystal structure of the mutant Q185A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	59.800, 63.862, 61.472
Unit cell angles	90.00, 115.28, 90.00

Refinement procedure

Resolution	41.928 - 1.370
R-factor	0.1658
Rwork	0.165
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltp
RMSD bond length	0.006
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.928
High resolution limit [Å]	1.370
Number of reflections	87599
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	30% PEG 4000, 0.1M Tris HCl, 0.2M lithium sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K