5Y7R
Quaternary complex of AsqJ-Fe3+-2OG-cyclopeptin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.441, 119.689, 66.207 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.263 - 1.960 |
| R-factor | 0.1683 |
| Rwork | 0.166 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.203 |
| Data scaling software | HKL-2000 |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.960 |
| Number of reflections | 20780 |
| <I/σ(I)> | 19.1 |
| Completeness [%] | 94.9 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 1000, Imidazole, Calcium acetate |
