6YWU
Human OMPD-domain of UMPS (K314AcK) in complex with UMP at 1.1 Angstroms resolution
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) | 0.82660 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.080, 116.940, 61.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.660 - 1.100 |
R-factor | 0.139 |
Rwork | 0.138 |
R-free | 0.15840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.630 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.660 | 20.000 | 1.150 |
High resolution limit [Å] | 1.100 | 10.000 | 1.100 |
Rmerge | 0.061 | 0.021 | 0.899 |
Rmeas | 0.067 | 0.023 | 0.973 |
Total number of observations | 752166 | ||
Number of reflections | 112207 | 148 | 13864 |
<I/σ(I)> | 15.55 | 56.16 | 2.58 |
Completeness [%] | 99.2 | 94.3 | 99.1 |
Redundancy | 6.703 | 5.149 | 6.672 |
CC(1/2) | 0.999 | 0.999 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization: 100 mM Tris/HCl pH 7.8, 1.8 - 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 12.5 mM UMP Cryo-protection: 100 mM Tris/HCl pH 7.8, 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 12.5 mM UMP, 2 M L-proline |