3P5Y

Crystal structure of the mutant T159A 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 X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	52.608, 74.038, 117.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.015 - 1.600
R-factor	0.2056
Rwork	0.204
R-free	0.23050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ltp
RMSD bond length	0.007
RMSD bond angle	1.057
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]	48.015
High resolution limit [Å]	1.600
Number of reflections	54292
Completeness [%]	88.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	20% iso-propanol, 20% PEG 4000, 0.1 M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K