3EX3
human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-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 | 2008-05-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.500, 61.630, 70.320 |
| Unit cell angles | 90.00, 113.05, 90.00 |
Refinement procedure
| Resolution | 42.370 - 1.450 |
| R-factor | 0.20339 |
| Rwork | 0.202 |
| R-free | 0.23565 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.572 |
| 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] | 42.370 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 96142 | |
| <I/σ(I)> | 8.8 | 1.6 |
| Completeness [%] | 99.2 | 97.4 |
| Redundancy | 3.7 | 3.3 |
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 |
