6M6P
Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-11-17 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 66.998, 95.644, 72.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.900 - 2.270 |
| R-factor | 0.1764 |
| Rwork | 0.174 |
| R-free | 0.22840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4crq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.504 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.820 | 47.820 | 2.280 |
| High resolution limit [Å] | 2.210 | 9.110 | 2.210 |
| Rmerge | 0.107 | 0.074 | 0.704 |
| Rmeas | 0.117 | 0.083 | 0.772 |
| Rpim | 0.046 | 0.036 | 0.308 |
| Total number of observations | 74218 | ||
| Number of reflections | 11550 | 195 | 723 |
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 95.9 | 96.5 | 70.7 |
| Redundancy | 6.4 | 5.2 | 5.8 |
| CC(1/2) | 0.997 | 0.994 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM MES (pH7.0), 15% (v/v) ethanol, 28% (m/v) PEG20000 |
