7OQN

Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 30 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	70.059, 61.891, 70.097
Unit cell angles	90.00, 113.12, 90.00

Refinement procedure

Resolution	42.540 - 1.100
R-factor	0.1328
Rwork	0.132
R-free	0.14960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zwy
RMSD bond length	0.008
RMSD bond angle	1.499
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]	42.540	42.540	1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.042	0.014	0.721
Rmeas	0.050	0.017	0.860
Total number of observations	763641
Number of reflections	220244	2488	16213
<I/σ(I)>	15.36	75.52	1.74
Completeness [%]	98.7	95.3	98.4
Redundancy	3.467	3.328	3.403
CC(1/2)	1.000	0.999	0.745

Crystallization Conditions

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