6CBM
x-ray structure of NeoB from streptomyces fradiae in complex with PLP and neomycin (as the external aldimine) at pH 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-11 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.742, 59.153, 70.313 |
| Unit cell angles | 69.58, 77.62, 78.45 |
Refinement procedure
| Resolution | 50.000 - 1.650 |
| R-factor | 0.16298 |
| Rwork | 0.161 |
| R-free | 0.19805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.600 |
| 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 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 0.248 |
| Number of reflections | 95942 | 14170 |
| <I/σ(I)> | 10.6 | 2.7 |
| Completeness [%] | 94.5 | 86.2 |
| Redundancy | 3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 18-20% PEG-3350, 100 mM MgCl2, 100 mM CHES, 1 mMPLP, 5 mM neomycin |
