4NT0

Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate

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	2013-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	56.886, 56.896, 125.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.101 - 1.769
R-factor	0.1958
Rwork	0.195
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g18
RMSD bond length	0.007
RMSD bond angle	0.999
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]	42.101
High resolution limit [Å]	1.769
Number of reflections	40055
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	28% PEG400, 0.1M Hepes, 0.2M calcium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K