5EPA
Crystal structure of non-heme alpha ketoglutarate dependent carbocyclase SnoK from nogalamycin biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.009, 83.151, 271.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.700 - 2.240 |
| R-factor | 0.19504 |
| Rwork | 0.193 |
| R-free | 0.22812 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ep9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.502 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.700 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.133 | 0.632 |
| Number of reflections | 96076 | |
| <I/σ(I)> | 6.2 | 1.6 |
| Completeness [%] | 99.4 | 97.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG MME 550, magnesium chloride, Tris/HCl, alpha ketoglutarate, ammonium ferric citrate |
