8BGO
N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus with substrate N,N-diacetylchitobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.164, 151.662, 167.092 |
| Unit cell angles | 90.00, 93.33, 90.00 |
Refinement procedure
| Resolution | 48.380 - 3.080 |
| R-factor | 0.1687 |
| Rwork | 0.168 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8bgn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS (5.8.0253) |
| Data scaling software | XSCALE (3.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 3.190 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.077 | 0.657 |
| Number of reflections | 72565 | 6943 |
| <I/σ(I)> | 14.6 | 2 |
| Completeness [%] | 99.3 | 94.75 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium chloride, 0.1M MES pH6.0, 20% v/v PEG 6000, |
