7OTU

Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2

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	2017-08-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.7653
Spacegroup name	C 2 2 21
Unit cell lengths	77.893, 116.724, 61.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.460 - 0.950
R-factor	0.0966
Rwork	0.096
R-free	0.10620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcd
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0258)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.460	42.460	0.970
High resolution limit [Å]	0.950	4.250	0.950
Rmerge	0.052	0.021	1.448
Rmeas	0.054	0.022	1.507
Total number of observations	2353528
Number of reflections	175866	2126	12848
<I/σ(I)>	23.58	86.81	2.34
Completeness [%]	99.7	98.7	99
Redundancy	13.383	11.63	12.61
CC(1/2)	1.000	1.000	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.8	293	Ammonium sulfate, Tris/HCl, Glutathion, Glycerol