3S9Y
Crystal Structure of P. falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP in space group P21, produced from 5-fluoro-6-azido-UMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90020 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.592, 82.905, 91.730 |
| Unit cell angles | 90.00, 90.93, 90.00 |
Refinement procedure
| Resolution | 25.990 - 1.700 |
| R-factor | 0.16541 |
| Rwork | 0.163 |
| R-free | 0.20122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q8l |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.494 |
| 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] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.066 | 0.487 |
| Number of reflections | 135063 | |
| <I/σ(I)> | 9.2 | 2.69 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | PEG1000, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
