6CBK
X-ray structure of NeoB from Streptomyces fradiae in complex with PMP
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) | 0.9794 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.726, 82.705, 100.860 |
| Unit cell angles | 75.59, 88.85, 70.60 |
Refinement procedure
| Resolution | 97.460 - 1.750 |
| R-factor | 0.17623 |
| Rwork | 0.175 |
| R-free | 0.20762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cbo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.620 |
| 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] | 97.450 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.094 | 0.309 |
| Number of reflections | 179314 | 17508 |
| <I/σ(I)> | 39.3 | 9.6 |
| Completeness [%] | 96.5 | 94.2 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 14-18% PEG-8000, 200 mM tetraethylammonium chloride, 200 mM HEPES |
