4JEW
N-acetylornithine aminotransferase from S. typhimurium complexed with L-canaline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.020, 112.330, 65.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.080 - 1.480 |
| R-factor | 0.15414 |
| Rwork | 0.153 |
| R-free | 0.17212 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pb0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.401 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 112.330 | 28.080 | 1.560 |
| High resolution limit [Å] | 1.480 | 4.680 | 1.480 |
| Rmerge | 0.070 | 0.030 | 0.340 |
| Number of reflections | 119395 | ||
| <I/σ(I)> | 15.5 | 33.9 | 4.7 |
| Completeness [%] | 99.7 | 99.5 | 98.6 |
| Redundancy | 5.6 | 5.8 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 295 | 20% PEG 3350, 0.5M ammonium acetate, 0.1M CAPSO pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
