3KZK
Crystal structure of acetylornithine transcarbamylase complexed with acetylcitrulline
Replaces: 1YH1Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2004-12-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9186 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 129.446, 129.446, 129.446 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.940 - 1.900 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1akm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.424 |
| Number of reflections | 28390 | |
| <I/σ(I)> | 20.8 | 3.2 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 291 | Lithium sulfate, Bis-tris, PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
