5ILN
Crystal structure of Aspartate Transcarbamoylase from Plasmodium falciparum (PfATC) with bound citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.450, 107.290, 87.320 |
| Unit cell angles | 90.00, 117.46, 90.00 |
Refinement procedure
| Resolution | 45.100 - 2.210 |
| R-factor | 0.18224 |
| Rwork | 0.180 |
| R-free | 0.23398 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PfATC-Met3 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.248 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.108 | 0.800 |
| Number of reflections | 69115 | |
| <I/σ(I)> | 5 | 0.8 |
| Completeness [%] | 97.7 | 83.8 |
| Redundancy | 2.9 | 2.2 |
| CC(1/2) | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Potassium citrate tribasic monohydrate, 20 % w/v PEG 3350 |
