7TWM
Structure of a borosin methyltransferase from Mycena rosella with peptide CspL(MroMCspL) in complex with SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-07-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.978720 |
Spacegroup name | P 65 |
Unit cell lengths | 190.960, 190.960, 93.589 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.930 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7twk |
RMSD bond length | 0.004 |
RMSD bond angle | 1.141 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | autoPROC (1.0.5) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.700 | 1.940 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.109 | 1.310 |
Number of reflections | 145206 | 1457 |
<I/σ(I)> | 18.9 | 1.8 |
Completeness [%] | 99.5 | 94 |
Redundancy | 13.7 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 25% PEG 4000, and 100 mM sodium cacodylate |