7Q20
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) in complex with blood group A trisaccharide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.594, 86.950, 110.196 |
| Unit cell angles | 90.00, 100.33, 90.00 |
Refinement procedure
| Resolution | 108.410 - 1.950 |
| R-factor | 0.1866 |
| Rwork | 0.185 |
| R-free | 0.21883 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d6c |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.289 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.411 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.150 | 1.748 |
| Rmeas | 0.172 | 1.931 |
| Rpim | 0.069 | 0.808 |
| Number of reflections | 145680 | 7011 |
| <I/σ(I)> | 5.8 | 1.1 |
| Completeness [%] | 99.9 | 97.7 |
| Redundancy | 5.4 | 5.4 |
| CC(1/2) | 0.988 | 0.394 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 12.5% MPD; 25% PEG 1000; 12.5% PEG 3350, 0.1 M Sodium HEPES/MOPS pH 7.5, 30 mM magnesium chloride hexahydrate and 30 mM calcium chloride dihydrate |
