9HQS

Variant R313K of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the product UMP at 1.1 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-28
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.6888
Spacegroup name	C 2 2 21
Unit cell lengths	85.470, 117.400, 60.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.550 - 1.100
R-factor	0.1276
Rwork	0.127
R-free	0.13980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.087
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.550	1.139
High resolution limit [Å]	1.100	1.100
Rmeas	0.049
Number of reflections	122402	11307
<I/σ(I)>	22.81
Completeness [%]	98.9
Redundancy	12.6
CC(1/2)	1.000	0.866

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 pH 8. 0,5% (w/v) Glycerol