7B4I
Thermostable omega transaminase PjTA-R6 variant W58G engineered for asymmetric synthesis of enantiopure bulky amines
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | DIAMOND |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 43 |
Unit cell lengths | 97.784, 97.784, 119.899 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 98.000 - 1.700 |
Rwork | 0.173 |
R-free | 0.19100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.397 |
Data reduction software | Aimless (0.7.4) |
Data scaling software | Aimless (0.7.4) |
Phasing software | REFMAC (5.8.0258) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 98.000 | 98.000 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.038 | 0.026 | 0.458 |
Rmeas | 0.046 | 0.032 | 0.563 |
Rpim | 0.027 | 0.018 | 0.325 |
Number of reflections | 123358 | 123358 | 6058 |
<I/σ(I)> | 17.4 | ||
Completeness [%] | 99.9 | ||
Redundancy | 5.5 | 5.5 | 5.5 |
CC(1/2) | 0.999 | 0.998 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | Drops were prepared by mixing 1 ul of protein solution (~10 mg/ml in 20 mM HEPES pH 7.5, 100 mM NaCl, 20 uM PLP buffer) with 1 ul of reservoir solution. Reservoir contained 0.7-1M succinic acid pH 7.6. Crystals appeared after 48h. |