6ZWZ
Resting state structure of the OMPD-domain of human UMPS variant (K314AcK) at 1.2 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 | 2018-04-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97630 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.100, 118.080, 62.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.200 |
R-factor | 0.1502 |
Rwork | 0.149 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcd |
RMSD bond length | 0.008 |
RMSD bond angle | 1.497 |
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] | 19.750 | 20.000 | 1.250 |
High resolution limit [Å] | 1.200 | 10.000 | 1.200 |
Rmerge | 0.033 | 0.026 | 0.715 |
Rmeas | 0.039 | 0.034 | 0.856 |
Total number of observations | 311810 | ||
Number of reflections | 86563 | 76 | 9754 |
<I/σ(I)> | 15.86 | 33.18 | 1.7 |
Completeness [%] | 97.6 | 47.5 | 96.6 |
Redundancy | 3.602 | 2.184 | 3.031 |
CC(1/2) | 0.999 | 0.995 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization: 100 mM Tris/HCl pH 8.0, 1.9 - 2.1 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol Cryo-protection: 100 mM Tris/HCl pH 8.0, 1.9 - 2.1 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 2 M L-proline |