8PHA
O(S)-methyltransferase from Pleurotus sapidus
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 | 2022-04-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.363, 109.116, 192.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.230 - 2.020 |
R-factor | 0.1728 |
Rwork | 0.171 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.770 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (dev_4788) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.230 | 2.090 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.092 | 0.891 |
Rmeas | 0.101 | 0.978 |
Rpim | 0.042 | 0.395 |
Number of reflections | 119562 | 5979 |
<I/σ(I)> | 9.5 | 2.1 |
Completeness [%] | 96.5 | |
Redundancy | 5.8 | 5.9 |
CC(1/2) | 0.999 | 0.715 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 15%(w/v) PEG 3K, 20%(v/v) 1,2,4-butanetriol, 1%(w/v) NDSB 256 0.01 M of each Polyamine 0.1 M GlyGly/AMPD. AMPD: 2-amino-2-methyl-1,3-propanediol; NDSB 256 Surfactant (PDB ID: DMX) Polyamine: Spermine 4 HCl (PDB ID: SPM), Sermidine 3 HCl (PDB ID: SPD), 1,4Diaminobutane 2 HCl (PDB ID:PUT), DL-Ornithine HCl (PDB ID:ORD/ORN) |