6JL4
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl aspartate (CA) and phosphate (Pi)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.992, 156.983, 88.302 |
| Unit cell angles | 90.00, 119.84, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.17937 |
| Rwork | 0.176 |
| R-free | 0.24989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jkq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.585 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.122 | 0.490 |
| Number of reflections | 81396 | 4068 |
| <I/σ(I)> | 5.5 | 2.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 10% PEG 3350, 0.1 M acetate buffer, pH 4.6, 0.2 M ammonium acetate, 0.01 M cobalt chloride, 3% glycerol |
