7OQF

Human OMPD-domain of UMPS in complex with OMP at 1.05 Angstrom resolution, 5 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	70.097, 61.970, 70.090
Unit cell angles	90.00, 113.00, 90.00

Refinement procedure

Resolution	42.560 - 1.050
R-factor	0.1381
Rwork	0.137
R-free	0.15310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zwy
RMSD bond length	0.007
RMSD bond angle	1.485
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]	42.560	42.560	1.080
High resolution limit [Å]	1.050	4.690	1.050
Rmerge	0.061	0.016	1.423
Rmeas	0.072	0.019	1.736
Total number of observations	871672
Number of reflections	253685	2935	18068
<I/σ(I)>	11.46	61.14	0.97
Completeness [%]	98.3	97.3	94.8
Redundancy	3.436	3.392	2.953
CC(1/2)	0.999	0.999	0.378

Crystallization Conditions

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