6YWU

Human OMPD-domain of UMPS (K314AcK) in complex with UMP at 1.1 Angstroms 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	2018-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.82660
Spacegroup name	C 2 2 21
Unit cell lengths	77.080, 116.940, 61.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.660 - 1.100
R-factor	0.139
Rwork	0.138
R-free	0.15840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcd
RMSD bond length	0.010
RMSD bond angle	1.630
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.660	20.000	1.150
High resolution limit [Å]	1.100	10.000	1.100
Rmerge	0.061	0.021	0.899
Rmeas	0.067	0.023	0.973
Total number of observations	752166
Number of reflections	112207	148	13864
<I/σ(I)>	15.55	56.16	2.58
Completeness [%]	99.2	94.3	99.1
Redundancy	6.703	5.149	6.672
CC(1/2)	0.999	0.999	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystallization: 100 mM Tris/HCl pH 7.8, 1.8 - 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 12.5 mM UMP Cryo-protection: 100 mM Tris/HCl pH 7.8, 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 12.5 mM UMP, 2 M L-proline