3MI2
Crystal structure of human orotidine-5'-monophosphate decarboxylase complexed with pyrazofurin monophosphate
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 | 2010-01-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.485, 62.109, 70.499 |
| Unit cell angles | 90.00, 111.45, 90.00 |
Refinement procedure
| Resolution | 65.620 - 1.200 |
| R-factor | 0.1716 |
| Rwork | 0.171 |
| R-free | 0.19247 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.519 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.620 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.044 | 0.288 |
| Number of reflections | 147972 | |
| <I/σ(I)> | 14 | 2.56 |
| Completeness [%] | 84.1 | 46.9 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | Ammonium Sulfate, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
