6FBA
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2,3-naphthalenediol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-04 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 |
| Unit cell lengths | 86.757, 86.757, 138.151 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.130 - 2.000 |
| R-factor | 0.18621 |
| Rwork | 0.184 |
| R-free | 0.22526 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ilq |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.307 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.140 | 2.170 |
| High resolution limit [Å] | 2.000 | 2.050 |
| Rmeas | 0.081 | 0.988 |
| Number of reflections | 74373 | 11695 |
| <I/σ(I)> | 11.46 | 1.45 |
| Completeness [%] | 98.7 | 98.5 |
| Redundancy | 3.16 | 3.185 |
| CC(1/2) | 0.998 | 0.506 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM Bis-tris propane pH 7.5 200 mM Na-sulphate 15 % PEG 3350 |
