2QCF

Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 5-fluoro-UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.8
Spacegroup name	C 2 2 21
Unit cell lengths	76.815, 115.512, 61.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.140 - 1.220
R-factor	0.12264
Rwork	0.121
R-free	0.14838
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.840
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.140	1.240
High resolution limit [Å]	1.220	1.220
Number of reflections	81404
<I/σ(I)>	21.4	2.5
Completeness [%]	99.8
Redundancy	6.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K