6N8E
Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.325, 154.345, 183.905 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.703 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmeas | 0.105 | 0.442 |
Rpim | 0.041 | 0.171 |
Number of reflections | 47131 | 4545 |
<I/σ(I)> | 11.4 | 3.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.4 | 6.6 |
CC(1/2) | 0.995 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.8 | 287 | well solution: 90 mM HEPES pH 6.8, 5% w/v 1,3-dimethylimidazolium dimethyl phosphate, 27% w/v PEG3350; protein sample: 25 mM HEPES pH 8.0, 25 mM NaCl, 0.4 mM TCEP, 5% v/v glycerol, 36.5 mg/mL holo-ObiF1; drop composition: 2 uL protein: 1 uL well solution under paraffin oil |