3WJZ

Orotidine 5'-monophosphate decarboxylase D75N mutant from M. thermoautotrophicus complexed with 6-amino-UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9000
Spacegroup name	C 2 2 21
Unit cell lengths	58.067, 103.595, 73.705
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.390
R-factor	0.1579
Rwork	0.157
R-free	0.17447
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3wjy
RMSD bond length	0.011
RMSD bond angle	1.442
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5)
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.780	1.410
High resolution limit [Å]	1.390	1.390
Rmerge	0.048	0.307
Number of reflections	45280
<I/σ(I)>	39.8
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	293	Sodium citrate, pH 9, VAPOR DIFFUSION, temperature 293K