7ZGS
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 291 |
| Detector technology | PIXEL |
| Collection date | 2017-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.850, 104.368, 87.048 |
| Unit cell angles | 90.00, 117.53, 90.00 |
Refinement procedure
| Resolution | 45.131 - 2.349 |
| Rwork | 0.217 |
| R-free | 0.27230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ilq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.832 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.131 | 2.410 |
| High resolution limit [Å] | 2.349 | 2.350 |
| Rmerge | 0.042 | 0.459 |
| Rmeas | 0.058 | 0.642 |
| Rpim | 0.040 | 0.448 |
| Number of reflections | 56561 | 4298 |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 98.4 | |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 0.999 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 200mM NaCl, 15%(w/v)PEG3350, 100mM bis-tris propane, 2%(v/v)DMSO |
