6T3V
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - malic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 90.209, 90.209, 241.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.000 - 1.620 |
| R-factor | 0.1256 |
| Rwork | 0.124 |
| R-free | 0.16370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rkc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
| High resolution limit [Å] | 1.620 | 3.490 | 1.620 |
| Rmerge | 0.056 | 0.041 | 0.390 |
| Total number of observations | 993205 | ||
| Number of reflections | 72901 | 7966 | 5755 |
| <I/σ(I)> | 16.1 | ||
| Completeness [%] | 97.0 | 98.4 | 78.1 |
| Redundancy | 13.6 | 12.8 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 2.1 M DL-malic acid pH 7.0 |
