8BGZ
O-Methyltransferase Plu4890 (mutant H229N) in complex with SAH and AQ-256
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 | 2020-07-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.350, 77.590, 167.600 |
Unit cell angles | 90.00, 95.27, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8bgt |
RMSD bond length | 0.002 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.079 | 0.506 |
Number of reflections | 107159 | 14700 |
<I/σ(I)> | 8.5 | 2.4 |
Completeness [%] | 97.9 | 99 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Sodium nitrate, 0.1 M bis-tris propane pH 6.5, 20 % PEG3350 |