4JF0
N79R mutant of N-acetylornithine aminotransferase
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 | 96.914, 113.604, 69.183 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.17979 |
| Rwork | 0.179 |
| R-free | 0.20241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pb0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.016 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 113.600 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
| Rmerge | 0.060 | 0.020 | 0.540 |
| Number of reflections | 45014 | ||
| <I/σ(I)> | 20.8 | 50.6 | 2.1 |
| Completeness [%] | 99.1 | 96.7 | 98.9 |
| Redundancy | 5 | 5.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20% PEG 3350, 0.5M ammonium acetate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
