6Z82
Thalictrum flavumn Norcoclaurine synthase point mutant in complex with a transition state analoge
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 62.660, 62.660, 72.645 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.270 - 2.300 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5non |
RMSD bond length | 0.012 |
RMSD bond angle | 1.702 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.270 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.035 | 0.371 |
Rpim | 0.012 | 0.171 |
Number of reflections | 7696 | 719 |
<I/σ(I)> | 26.9 | 3.8 |
Completeness [%] | 99.7 | 97.9 |
Redundancy | 10.2 | 9.7 |
CC(1/2) | 1.000 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 25% w/v PEG 1500, 20% glycerol. |