3EWZ
human orotidyl-5'-monophosphate decarboxylase in complex with 5-cyano-UMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.557, 60.793, 136.087 |
Unit cell angles | 90.00, 99.29, 90.00 |
Refinement procedure
Resolution | 46.080 - 1.400 |
R-factor | 0.15593 |
Rwork | 0.154 |
R-free | 0.18701 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | COMO |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.080 | 1.460 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 193472 | |
<I/σ(I)> | 9.6 | 1.5 |
Completeness [%] | 85.3 | 35.6 |
Redundancy | 2.6 | 0.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 300 | 0.1 M Tris-HCl pH 8.0, 1.8 M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 300.0K |