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 |