7NL5
Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.521, 65.415, 49.442 |
| Unit cell angles | 90.00, 101.90, 90.00 |
Refinement procedure
| Resolution | 48.430 - 1.400 |
| R-factor | 0.1483 |
| Rwork | 0.147 |
| R-free | 0.17330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d4a |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.831 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.410 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 53069 | 2353 |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.993 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, ammonium nitrate pH 6.5 |
