2ZZ2

Orotidine Monophosphate Decarboxylase K72A mutant from M. thermoautotrophicum complexed with 6-cyano-UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Detector technology	CCD
Collection date	2004-03-06
Detector	MAR CCD 165 mm
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	58.086, 73.819, 59.323
Unit cell angles	90.00, 119.30, 90.00

Refinement procedure

Resolution	51.990 - 1.530
R-factor	0.16085
Rwork	0.159
R-free	0.18730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1x1z
RMSD bond length	0.016
RMSD bond angle	1.646
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.560
High resolution limit [Å]	1.530	1.530
Number of reflections	62518
<I/σ(I)>	22.1	2.8
Completeness [%]	95.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			1.2-1.36M Sodium Citrate, 5% dioxiane, pH 6.0-8.5, VAPOR DIFFUSION