7ZP2
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
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 | 2019-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033200 |
| Spacegroup name | P 1 |
| Unit cell lengths | 87.065, 87.360, 104.636 |
| Unit cell angles | 89.98, 90.04, 117.72 |
Refinement procedure
| Resolution | 62.192 - 2.292 |
| Rwork | 0.164 |
| R-free | 0.19140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ilq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.037 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.192 | 2.340 |
| High resolution limit [Å] | 2.292 | 2.300 |
| Rmerge | 0.056 | 0.303 |
| Rmeas | 0.079 | 0.429 |
| Rpim | 0.056 | 0.303 |
| Number of reflections | 117783 | 5756 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 97.1 | |
| Redundancy | 1.7 | 1.8 |
| CC(1/2) | 0.992 | 0.931 |
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 |
