7OUZ

Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.9 Angstroms resolution, crystal 1

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	2018-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7653
Spacegroup name	C 2 2 21
Unit cell lengths	77.896, 116.425, 61.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.300 - 0.900
R-factor	0.11
Rwork	0.110
R-free	0.11960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcc
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.300	30.300	0.920
High resolution limit [Å]	0.900	4.020	0.900
Rmerge	0.036	0.024	0.856
Rmeas	0.042	0.029	1.056
Total number of observations	701093
Number of reflections	200348	2026	13775
<I/σ(I)>	15.25	41.48	1.23
Completeness [%]	96.8	80.5	90.6
Redundancy	3.499	3.303	2.658
CC(1/2)	0.999	0.996	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	Tris/HCl, ammonium sulfate, glutathione