6ZX2
OMPD-domain of human UMPS in complex with 6-carboxamido-UMP 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 | 2018-10-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97630 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.740, 116.300, 62.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.740 - 1.200 |
R-factor | 0.1257 |
Rwork | 0.125 |
R-free | 0.14820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcd |
RMSD bond length | 0.011 |
RMSD bond angle | 1.648 |
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] | 19.740 | 20.000 | 1.250 |
High resolution limit [Å] | 1.200 | 10.000 | 1.200 |
Rmerge | 0.075 | 0.030 | 0.987 |
Rmeas | 0.081 | 0.034 | 1.082 |
Total number of observations | 569813 | ||
Number of reflections | 85199 | 145 | 9143 |
<I/σ(I)> | 13.03 | 37.37 | 2.06 |
Completeness [%] | 96.8 | 91.2 | 91.1 |
Redundancy | 6.688 | 4.979 | 5.987 |
CC(1/2) | 0.999 | 0.996 | 0.652 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization: 100 mM Tris/HCl pH 8.0, 1.8 - 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol Soaking: 100 mM Tris/HCl pH 8.0, 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 12.5 mM CA-UMP Cryo-protection: 100 mM Tris/HCl pH 8.0, 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 12.5 mM CA-UMP, 1 M L-proline |