9HY0

Variant T321A of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the 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 P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.729300
Spacegroup name	C 2 2 21
Unit cell lengths	85.060, 117.220, 60.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 0.950
R-factor	0.1234
Rwork	0.123
R-free	0.13130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.107
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]	42.260	0.984
High resolution limit [Å]	0.950	0.950
Rmeas	0.054
Number of reflections	190182	18816
<I/σ(I)>	21.97
Completeness [%]	99.7
Redundancy	13.3
CC(1/2)	1.000	0.617

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