6CBN
x-ray structure of NeoB from streptomyces fradiae in complex with PLP and neomycin (as the external aldimine) at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-15 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.255, 109.576, 70.443 |
| Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.350 |
| R-factor | 0.17284 |
| Rwork | 0.172 |
| R-free | 0.19681 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.693 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.075 | 0.393 |
| Number of reflections | 181651 | 34033 |
| <I/σ(I)> | 10.9 | 2.4 |
| Completeness [%] | 98.7 | 96.1 |
| Redundancy | 5.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 18-20% PEG-5000, 200 mL LiCl, 100 mM HEPES, 1 mm PLP, 5 mM neomycin |
