7ZEA
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
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 | 87.025, 104.507, 87.301 |
| Unit cell angles | 90.00, 117.47, 90.00 |
Refinement procedure
| Resolution | 45.278 - 2.448 |
| Rwork | 0.182 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ilq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.870 |
| 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] | 45.278 | 2.520 |
| High resolution limit [Å] | 2.448 | 2.450 |
| Rmerge | 0.051 | 0.464 |
| Rmeas | 0.070 | 0.643 |
| Rpim | 0.048 | 0.443 |
| Number of reflections | 50829 | 4363 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.999 | 0.852 |
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 |
