4RKD
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with aspartic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.250, 103.230, 165.780 |
| Unit cell angles | 90.00, 98.58, 90.00 |
Refinement procedure
| Resolution | 45.740 - 2.760 |
| R-factor | 0.17578 |
| Rwork | 0.173 |
| R-free | 0.22194 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rkc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.043 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.860 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.126 | 0.517 |
| Number of reflections | 77222 | |
| <I/σ(I)> | 7.66 | 2.29 |
| Completeness [%] | 97.4 | 98.6 |
| Redundancy | 2.27 | 2.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M (CH3COO)2Mg, 20% PEG3350, 0.1M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
