7OQM

Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking

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)	0.827
Spacegroup name	P 1 21 1
Unit cell lengths	69.964, 61.882, 70.052
Unit cell angles	90.00, 113.09, 90.00

Refinement procedure

Resolution	42.510 - 1.050
R-factor	0.1216
Rwork	0.121
R-free	0.13360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zwy
RMSD bond length	0.007
RMSD bond angle	1.468
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.510	42.510	1.080
High resolution limit [Å]	1.050	4.700	1.050
Rmerge	0.050	0.023	0.800
Rmeas	0.059	0.027	0.963
Total number of observations	868228
Number of reflections	248705	2836	17591
<I/σ(I)>	12.35	46.64	1.7
Completeness [%]	97.2	94.9	93.3
Redundancy	3.491	3.416	3.19
CC(1/2)	0.999	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293.15	Ammonium sulfate, Tris/HCl, Glutathion, Glycerol