3MO7
Crystal structure of human orotidine 5'-monophosphate decarboxylase covalently modified by 2'-fluoro-6-iodo-UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.499, 116.035, 62.103 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.610 - 1.350 |
| R-factor | 0.15636 |
| Rwork | 0.155 |
| R-free | 0.17534 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.439 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.073 | 0.476 |
| Number of reflections | 56107 | |
| <I/σ(I)> | 11.2 | 3.1 |
| Completeness [%] | 94.1 | 97.7 |
| Redundancy | 4.8 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Sodium Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
