3M4J
Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with PALAO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 95 |
| Detector technology | CCD detector |
| Collection date | 2004-12-04 |
| Detector | Dual Quantum 4 |
| Wavelength(s) | 0.9186 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 128.880, 128.880, 128.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.760 - 2.200 |
| Rwork | 0.199 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kzo |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.074 | 0.484 |
| Number of reflections | 18269 | |
| <I/σ(I)> | 15 | 4.9 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 12 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6 | 291 | Lithium sulfate, Bis-tris, PEG3350, pH 6.0, hanging drop, temperature 291K |
