6JKT
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with N-(PHOSPHONACETYL)-L-ASPARTIC ACID (PALA).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.289, 157.262, 88.725 |
| Unit cell angles | 90.00, 119.77, 90.00 |
Refinement procedure
| Resolution | 29.440 - 2.300 |
| R-factor | 0.17112 |
| Rwork | 0.168 |
| R-free | 0.22145 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jkq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.481 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 | 0.280 |
| Number of reflections | 92925 | 9274 |
| <I/σ(I)> | 8.6 | 4.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.4 | 3.4 |
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 and 3% glycerol |
