6JKR
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.414, 158.384, 89.001 |
| Unit cell angles | 90.00, 119.66, 90.00 |
Refinement procedure
| Resolution | 29.600 - 1.600 |
| R-factor | 0.16772 |
| Rwork | 0.167 |
| R-free | 0.18966 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jkq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.482 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 | 0.399 |
| Number of reflections | 277190 | 25230 |
| <I/σ(I)> | 11.7 | 3.9 |
| Completeness [%] | 95.3 | 91.4 |
| Redundancy | 3.6 |
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. |
