3N2M
Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-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 21 21 2 |
| Unit cell lengths | 80.640, 83.350, 89.843 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.15672 |
| Rwork | 0.155 |
| R-free | 0.18895 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q8l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.554 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.076 | 0.466 |
| Number of reflections | 54815 | |
| <I/σ(I)> | 10.6 | 4.33 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.8 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | PEG 1000, ammonium phosphate, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
