4GC4

Crystal structure of the mutant R160A.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	2012-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	56.624, 56.611, 127.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.293 - 1.420
R-factor	0.1855
Rwork	0.184
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltp
RMSD bond length	0.006
RMSD bond angle	1.056
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.293
High resolution limit [Å]	1.420
Number of reflections	77257
Completeness [%]	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	3.5M sodium formate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K