7C92
Structure of Serratia marcescens chitinase B complexed with compound 6k
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.362, 103.644, 186.792 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.880 - 2.320 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g2z |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 2.360 |
| High resolution limit [Å] | 2.316 | 2.320 |
| Rpim | 0.061 | 0.234 |
| Number of reflections | 46796 | 2418 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 93.6 | |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 50 mM citrate (pH 5.6), 0.5 M Li2SO4 and 0.25M (NH4)2SO4 |
