3WK0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	0.9797
Spacegroup name	C 2 2 21
Unit cell lengths	58.032, 103.562, 73.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.780 - 1.410
R-factor	0.17
Rwork	0.169
R-free	0.18800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3wjy
RMSD bond length	0.018
RMSD bond angle	1.809
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]	100.000	1.430
High resolution limit [Å]	1.410	1.410
Rmerge	0.042	0.309
Number of reflections	43044
<I/σ(I)>	45.6	6.5
Completeness [%]	99.6	99.4

Crystallization Conditions

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