2FFC
Crystal Structure of Plasmodium Vivax Orotidine-Monophosphate-Decarboxyl UMP Bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-05 |
| Detector | SBC-3 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.817, 69.588, 59.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.18825 |
| Rwork | 0.187 |
| R-free | 0.23444 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aqw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.585 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (V. 1.3.1) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.612 |
| Number of reflections | 37109 | |
| <I/σ(I)> | 10.2 | 1.6 |
| Completeness [%] | 97.7 | 80.3 |
| Redundancy | 6.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 296 | 30.0% PEG 4K, 0.2M NaOAc, 0.1M Tris HCl, VAPOR DIFFUSION, pH 8.5, temperature 296K |
