6ZX1
OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 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) | 0.72930 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.670, 116.570, 61.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.680 - 1.000 |
R-factor | 0.1228 |
Rwork | 0.122 |
R-free | 0.13760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.675 |
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] | 19.680 | 20.000 | 1.050 |
High resolution limit [Å] | 1.000 | 10.000 | 1.000 |
Rmerge | 0.045 | 0.013 | 0.786 |
Rmeas | 0.052 | 0.016 | 0.909 |
Total number of observations | 568217 | ||
Number of reflections | 147538 | 128 | 20165 |
<I/σ(I)> | 14.65 | 61.91 | 1.78 |
Completeness [%] | 97.7 | 81 | 98.8 |
Redundancy | 3.851 | 3.211 | 3.813 |
CC(1/2) | 1.000 | 0.999 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Crystallization: 100 mM Tris/HCl pH 8.0, 1.6 - 1.8 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol Cryo-protection: 100 mM Tris/HCl pH 8.0, 2.0 M Ammonium sulfate, 10 mM Glutathion, 5% (v/v) Glycerol, 1 M L-proline, 25 mM 6-Aza-UMP |