6I86
Crocagin biosynthetic gene J
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 132.560, 132.560, 112.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.169 - 2.000 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19850 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.645 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | AutoSol |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.170 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.671 |
| Rmeas | 0.095 | 0.779 |
| Rpim | 0.035 | 0.280 |
| Number of reflections | 68297 | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | ammonium phosphate, tri-sodium citrate |
