3BK0
Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-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 | 2007-08-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.552, 61.554, 70.989 |
| Unit cell angles | 90.00, 111.81, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.18102 |
| Rwork | 0.179 |
| R-free | 0.21562 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.514 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.058 | 0.323 |
| Number of reflections | 58523 | |
| <I/σ(I)> | 14.6 | 1.95 |
| Completeness [%] | 78.5 | 21.7 |
| Redundancy | 3.3 | 1.7 |
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 |
