6CBL
x-ray structure of NeoB from Streptomyces fradiae in complex with neamine as an external aldimine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9498 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.363, 107.363, 217.528 |
| Unit cell angles | 90.00, 98.24, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.19856 |
| Rwork | 0.196 |
| R-free | 0.24283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.833 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.049 | 0.100 |
| Number of reflections | 367186 | 29397 |
| <I/σ(I)> | 38.4 | 7.9 |
| Completeness [%] | 87.2 | 70 |
| Redundancy | 3.9 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 16-21% PEG-3350, 300 mM KCl, 100 mM HEPES, 5 mM neamine, 1 mM PLP |
