1XI9
Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | SBC-3 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.804, 188.089, 72.583 |
| Unit cell angles | 90.00, 89.79, 90.00 |
Refinement procedure
| Resolution | 42.260 - 2.330 |
| R-factor | 0.20335 |
| Rwork | 0.202 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gd9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.471 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.420 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.053 | 0.230 |
| Number of reflections | 69038 | |
| Completeness [%] | 98.6 | 91.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 291 | 15%w/v PEG-3350, 0.4 micromoles per liter cesium chloride, 0.15M ammonium citrate, pH 7.4, modified microbatch, temperature 291K, pH 7.40 |
