3BVJ
Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with XMP
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 | 69.857, 61.976, 70.514 |
| Unit cell angles | 90.00, 112.96, 90.00 |
Refinement procedure
| Resolution | 24.200 - 1.800 |
| R-factor | 0.18723 |
| Rwork | 0.185 |
| R-free | 0.22844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.520 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.111 | 0.456 |
| Number of reflections | 49502 | |
| <I/σ(I)> | 6.6 | 1.64 |
| Completeness [%] | 97.8 | 90.9 |
| Redundancy | 4.9 | 3.4 |
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 |
