6NEG
N191D, F205S mutant of scoulerine-9-O methyltransferase from Thalictrum flavum complexed with S-ADENOSYL-L-HOMOCYSTEINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 104.3 |
Detector technology | PIXEL |
Collection date | 2017-12-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.180763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.600, 84.240, 67.480 |
Unit cell angles | 90.00, 96.23, 90.00 |
Refinement procedure
Resolution | 52.476 - 1.950 |
R-factor | 0.1749 |
Rwork | 0.174 |
R-free | 0.19970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3reo |
RMSD bond length | 0.009 |
RMSD bond angle | 0.896 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.240 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.072 | 0.577 |
Rmeas | 0.078 | 0.622 |
Rpim | 0.029 | 0.328 |
Number of reflections | 51180 | 3604 |
<I/σ(I)> | 15.3 | 3.3 |
Completeness [%] | 96.3 | 96.5 |
Redundancy | 6.9 | 7 |
CC(1/2) | 0.999 | 0.907 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 273.15 | 18% PEG 3,350 and 0.22 M AMSO4 |