7OQI

Human OMPD-domain of UMPS in complex with substrate OMP at 1.15 Angstrom resolution, 10 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	70.027, 61.901, 70.217
Unit cell angles	90.00, 113.01, 90.00

Refinement procedure

Resolution	42.550 - 1.150
R-factor	0.1221
Rwork	0.121
R-free	0.13800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zwy
RMSD bond length	0.007
RMSD bond angle	1.455
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]	42.550	42.550	1.180
High resolution limit [Å]	1.150	5.140	1.150
Rmerge	0.043	0.013	0.784
Rmeas	0.051	0.016	0.931
Total number of observations	672622
Number of reflections	193500	2204	14230
<I/σ(I)>	16.29	71.51	1.82
Completeness [%]	98.8	96	98.8
Redundancy	3.476	3.265	3.449
CC(1/2)	1.000	1.000	0.638

Crystallization Conditions

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