4FX6

Crystal structure of the mutant V182A.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 315
Wavelength(s)	1.075
Spacegroup name	P 1 21 1
Unit cell lengths	55.084, 66.404, 59.552
Unit cell angles	90.00, 101.85, 90.00

Refinement procedure

Resolution	44.380 - 1.531
R-factor	0.1473
Rwork	0.146
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltp
RMSD bond length	0.006
RMSD bond angle	1.111
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.380
High resolution limit [Å]	1.531
Number of reflections	62002
Completeness [%]	98.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.0 Sodium citrate, 0.1M cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K