6EOZ
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b)
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 | 2016-11-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.560, 120.140, 67.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.550 |
| R-factor | 0.13432 |
| Rwork | 0.133 |
| R-free | 0.16290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dap |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.349 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.042 | 0.493 |
| Rpim | 0.047 | 0.555 |
| Number of reflections | 42404 | |
| <I/σ(I)> | 15.2 | 3.4 |
| Completeness [%] | 98.7 | 98.7 |
| Redundancy | 4.9 | 4.9 |
| CC(1/2) | 0.999 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM TRIS/HCl, 1 M LiBr, 27% PEG 6000 |
