6XWB
Crystal structure of an R-selective transaminase from Thermomyces stellatus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 67.770, 98.010, 117.258 |
Unit cell angles | 90.00, 91.22, 90.00 |
Refinement procedure
Resolution | 37.600 - 2.200 |
R-factor | 0.2023 |
Rwork | 0.201 |
R-free | 0.23070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ce5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.723 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.000 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.112 | 0.526 |
Rmeas | 0.135 | 0.632 |
Rpim | 0.075 | 0.347 |
Number of reflections | 38936 | 20731 |
<I/σ(I)> | 10.2 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 6.2 |
CC(1/2) | 0.996 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 275 | Microseeding with microcrystals grown in PACT condition G3. Larger crystals grew in seeded drops in PACT condition D12. |