6KNK
Crystal structure of SbnH in complex with citryl-diaminoethane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 176.299, 80.325, 111.524 |
| Unit cell angles | 90.00, 102.07, 90.00 |
Refinement procedure
| Resolution | 46.740 - 2.300 |
| R-factor | 0.222 |
| Rwork | 0.221 |
| R-free | 0.24550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j66 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.087 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.740 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.047 | 0.367 |
| Number of reflections | 65898 | 4430 |
| <I/σ(I)> | 15.1 | |
| Completeness [%] | 97.3 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 290 | 0.2 M Na Citrate, 50 mM Bis-Tris pH 6.0, 23% PEG 3,350 |
