9HIM
ManDH5 E303Q in complex with mannotriose after co-crystalliztion with mannohexaose at 1.36 angstroms resolution a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 95.481, 99.353, 153.617 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.100 - 1.360 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native ManDH5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.123 |
| Data reduction software | XDS |
| Data scaling software | xia2 (7.8.078) |
| Phasing software | PHASER (1.17.1_3660) |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Number of reflections | 155850 | 7618 |
| <I/σ(I)> | 24.5 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.9 | 12.5 |
| CC(1/2) | 1.000 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.15 | 294 | 0.1 M MMT buffer pH 7.15, 28% PEG 1500 |
