6HP1
Crystal Structure of the O-Methyltransferase from the trans-AT PKS multienzyme C0ZGQ3 of Brevibacillus brevis
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 | 2018-07-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.613, 71.760, 61.192 |
| Unit cell angles | 90.00, 104.07, 90.00 |
Refinement procedure
| Resolution | 45.737 - 1.900 |
| R-factor | 0.1746 |
| Rwork | 0.173 |
| R-free | 0.20450 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.885 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.737 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.296 | 2.111 |
| Rmeas | 0.312 | 2.265 |
| Rpim | 0.069 | 0.574 |
| Number of reflections | 29477 | 2915 |
| <I/σ(I)> | 6.6 | 1.8 |
| Completeness [%] | 99.6 | 98.45 |
| Redundancy | 19.3 | 15 |
| CC(1/2) | 1.000 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES 7.17 pH , 14 %w/v PEG 20K; soaked with 10mM Thiomersal for 10min |
