8BID
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-270a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.400, 77.670, 167.330 |
Unit cell angles | 90.00, 95.49, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
R-factor | 0.1819 |
Rwork | 0.180 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8bgt |
RMSD bond length | 0.006 |
RMSD bond angle | 1.287 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.850 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.083 | 0.626 |
Number of reflections | 159145 | 24786 |
<I/σ(I)> | 7.1 | 2 |
Completeness [%] | 97.6 | 99.5 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 25 % PEG4000 |