4FXR

Crystal structure of the mutant T159V.R203A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 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	2012-06-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	54.353, 63.065, 54.513
Unit cell angles	90.00, 98.95, 90.00

Refinement procedure

Resolution	40.952 - 1.708
R-factor	0.2278
Rwork	0.226
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltp
RMSD bond length	0.008
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.952
High resolution limit [Å]	1.708
Number of reflections	38041
Completeness [%]	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.8M NaH2PO4/1.2M K2HPO4, 0.1M acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K