7OQK

Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 15 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	70.016, 61.916, 70.159
Unit cell angles	90.00, 112.95, 90.00

Refinement procedure

Resolution	34.850 - 1.100
R-factor	0.1305
Rwork	0.130
R-free	0.14560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zwy
RMSD bond length	0.007
RMSD bond angle	1.458
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]	34.850	34.850	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.052	0.025	0.865
Rmeas	0.062	0.030	1.030
Total number of observations	760933
Number of reflections	220012	2507	16187
<I/σ(I)>	12.21	43.53	1.8
Completeness [%]	98.4	95.8	98
Redundancy	3.459	3.272	3.37
CC(1/2)	0.999	0.997	0.693

Crystallization Conditions

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