3WK1

Wild-type orotidine 5'-monophosphate decarboxylase from M. thermoautotrophicus complexed with orotidine 5'-monophosphate ethyl ester

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	57.800, 103.490, 73.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1669
Rwork	0.166
R-free	0.18220
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3wk3
RMSD bond length	0.016
RMSD bond angle	1.630
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5)
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.780	1.630
High resolution limit [Å]	1.590	1.590
Rmerge	0.051	0.298
Number of reflections	30030
<I/σ(I)>	38.2
Completeness [%]	99.9	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	Sodium citrate, pH 8.5, VAPOR DIFFUSION, temperature 293K