3EWW
D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP, covalent adduct
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 | 2008-03-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.527, 61.479, 70.491 |
| Unit cell angles | 90.00, 113.13, 90.00 |
Refinement procedure
| Resolution | 42.330 - 1.100 |
| R-factor | 0.16264 |
| Rwork | 0.161 |
| R-free | 0.18676 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.670 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | COMO |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.330 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 220824 | |
| <I/σ(I)> | 7 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.3 | 6.2 |
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 |
