3UWQ

1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	52.140, 96.944, 104.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.330 - 1.800
R-factor	0.15158
Rwork	0.150
R-free	0.17787
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ldv
RMSD bond length	0.007
RMSD bond angle	1.631
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.527
Number of reflections	49918
<I/σ(I)>	29.48	4.3
Completeness [%]	100.0	100
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	protein at 7 mg/mL in 10 mM Tris-HCl, 500 mM NaCl, 5 mM BME. Crystallization condition: the PACT Suite (A4: 0.1 M SPG buffer pH 7.0 25 % (w/v) PEG1500), VAPOR DIFFUSION, SITTING DROP, temperature 295K