3G1Y

Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with sulfate

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	2007-10-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 41
Unit cell lengths	56.569, 56.569, 127.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.910 - 1.400
R-factor	0.229
Rwork	0.229
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g18
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	1.400
Rmerge	0.069
Number of reflections	78075
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2.0M ammonium sulfate, 2% PEG 400, 0.1M hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K