3BAR
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-azido-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 21 21 2 |
| Unit cell lengths | 80.928, 83.354, 89.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.680 - 1.900 |
| R-factor | 0.17445 |
| Rwork | 0.172 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q8l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.518 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.085 | 0.459 |
| Number of reflections | 44155 | |
| <I/σ(I)> | 11.4 | 3.45 |
| Completeness [%] | 95.4 | 97.9 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 293 | 100mM Ammonium phosphate, 27% PEG 1000, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
