3EWU
D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-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 | 2008-07-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.410, 61.690, 70.810 |
| Unit cell angles | 90.00, 112.86, 90.00 |
Refinement procedure
| Resolution | 38.780 - 1.600 |
| R-factor | 0.16465 |
| Rwork | 0.163 |
| R-free | 0.19614 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.592 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | COMO |
| Refinement software | REFMAC (5.5.0057) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.083 | 0.531 |
| Number of reflections | 72838 | |
| <I/σ(I)> | 9 | 1.5 |
| Completeness [%] | 99.9 | 99.1 |
| Redundancy | 3.6 | 2.8 |
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 |
