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 |