7ASQ

Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the reaction product UMP at 0.95 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.85
Spacegroup name	C 2 2 21
Unit cell lengths	77.670, 116.860, 61.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.830 - 0.950
R-factor	0.1076
Rwork	0.107
R-free	0.11990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcd
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.830	38.830	1.000
High resolution limit [Å]	0.950	20.000	0.950
Rmerge	0.065	0.021	0.839
Rmeas	0.071	0.025	0.914
Total number of observations	1132720
Number of reflections	174560	19	24349
<I/σ(I)>	12.38	42.35	1.71
Completeness [%]	99.2	70.4	97.9
Redundancy	6.489	3.053	6.31
CC(1/2)	0.999	0.999	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM Tris/HCl pH 7.0, 1.7 - 1.9 M Ammonium sulfate, 10 mM Glutathion, 5% (w/v) Glycerol