7ASQ
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the reaction product UMP at 0.95 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-06 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.85 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.670, 116.860, 61.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.830 - 0.950 |
R-factor | 0.1076 |
Rwork | 0.107 |
R-free | 0.11990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcd |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.830 | 38.830 | 1.000 |
High resolution limit [Å] | 0.950 | 20.000 | 0.950 |
Rmerge | 0.065 | 0.021 | 0.839 |
Rmeas | 0.071 | 0.025 | 0.914 |
Total number of observations | 1132720 | ||
Number of reflections | 174560 | 19 | 24349 |
<I/σ(I)> | 12.38 | 42.35 | 1.71 |
Completeness [%] | 99.2 | 70.4 | 97.9 |
Redundancy | 6.489 | 3.053 | 6.31 |
CC(1/2) | 0.999 | 0.999 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Tris/HCl pH 7.0, 1.7 - 1.9 M Ammonium sulfate, 10 mM Glutathion, 5% (w/v) Glycerol |