7AM9

OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 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	77.290, 116.820, 61.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.710 - 0.990
R-factor	0.1154
Rwork	0.114
R-free	0.13900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cqd
RMSD bond length	0.022
RMSD bond angle	2.298
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.710	1.101
High resolution limit [Å]	0.990	0.993
Number of reflections	96533	4829
<I/σ(I)>	21.8	1.9
Completeness [%]	94.7
Redundancy	37
CC(1/2)	1.000	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Crystallization: 100 mM Tris/HCl pH 8.0, 1.9 - 2.1 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol Soaking: 100 mM Tris/HCl pH 8.0, 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 50 mM OMP