3NQ6

Crystal structure of the mutant P180A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor 6-azaUMP

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	2007-09-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	59.696, 64.379, 61.811
Unit cell angles	90.00, 115.50, 90.00

Refinement procedure

Resolution	32.407 - 1.494
R-factor	0.1713
Rwork	0.170
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g18
RMSD bond length	0.006
RMSD bond angle	1.063
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]	32.407
High resolution limit [Å]	1.494
Rmerge	0.075
Number of reflections	64373
Completeness [%]	94.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG3350, 0.1M Tris-HCl, 0.2M magnesium chloride , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K