6ZUR
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-p-hydroxyphenyllactic 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 | PIXEL |
Collection date | 2017-01-27 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.730, 63.858, 82.847 |
Unit cell angles | 90.00, 102.67, 90.00 |
Refinement procedure
Resolution | 43.650 - 2.310 |
R-factor | 0.1995 |
Rwork | 0.198 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rkc |
RMSD bond length | 0.017 |
RMSD bond angle | 1.637 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.650 | 43.650 | 2.450 |
High resolution limit [Å] | 2.310 | 6.860 | 2.310 |
Rmerge | 0.091 | 0.032 | 0.508 |
Rmeas | 0.110 | 0.038 | 0.607 |
Total number of observations | 100722 | ||
Number of reflections | 31189 | 1232 | 4701 |
<I/σ(I)> | 9.71 | 33.73 | 1.87 |
Completeness [%] | 96.4 | 95.5 | 91 |
Redundancy | 3.229 | 3.093 | 3.246 |
CC(1/2) | 0.996 | 0.997 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2 M MgNO3, 20% PEG 2000, HEPES pH 7.5. |