3G3D
Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Covalently Modified by 5-fluoro-6-azido-UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.682, 61.850, 70.320 |
| Unit cell angles | 90.00, 112.73, 90.00 |
Refinement procedure
| Resolution | 28.720 - 1.700 |
| R-factor | 0.17724 |
| Rwork | 0.175 |
| R-free | 0.20978 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p1f |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.538 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.074 | 0.493 |
| Number of reflections | 58024 | |
| <I/σ(I)> | 10.2 | 1.765 |
| Completeness [%] | 94.9 | 61.3 |
| Redundancy | 3.5 | 2.6 |
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 |
