8BIB
O-Methyltransferase Plu4890 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 | 2018-04-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.060, 77.050, 167.220 |
Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.2155 |
Rwork | 0.214 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8bgt |
RMSD bond length | 0.002 |
RMSD bond angle | 1.126 |
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 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.077 | 0.556 |
Number of reflections | 68830 | 8321 |
<I/σ(I)> | 9.1 | 2 |
Completeness [%] | 96.7 | |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M NaI, 0.1 M bis-tris propane pH 6.5, 20% PEG3350 |