4JEX
Y21K mutant of N-acetylornithine aminotransferase 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 | 96.990, 112.780, 65.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.010 - 1.430 |
| R-factor | 0.15661 |
| Rwork | 0.156 |
| R-free | 0.17619 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pb0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.283 |
| 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] | 112.780 | 25.010 | 1.510 |
| High resolution limit [Å] | 1.430 | 4.520 | 1.430 |
| Rmerge | 0.080 | 0.030 | 0.480 |
| Number of reflections | 132710 | ||
| <I/σ(I)> | 15.7 | 39.9 | 4.1 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 7.3 | 7 | 7.2 |
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 |
