7Q1W
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
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 | 2020-09-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.256, 103.658, 113.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.470 - 1.650 |
| R-factor | 0.1701 |
| Rwork | 0.169 |
| R-free | 0.19520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d6c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.553 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.470 | 76.470 | 1.680 |
| High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
| Rmerge | 0.185 | 0.062 | 3.380 |
| Rmeas | 0.196 | 0.067 | 3.608 |
| Rpim | 0.065 | 0.025 | 1.250 |
| Total number of observations | 980070 | 6373 | 43087 |
| Number of reflections | 111311 | 797 | 5397 |
| <I/σ(I)> | 6.6 | 19.1 | 0.7 |
| Completeness [%] | 100.0 | 100 | 99.1 |
| Redundancy | 8.8 | 8 | 8 |
| CC(1/2) | 0.993 | 0.973 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% PEG 500 MME, 10% PEG20K, 0.1M pH 6.5 imidazole/MES monohydrate (acid), 30 mM sodium fluoride, 30 mM Sodium bromide and 30 mM sodium iodide |
