5V1W
Crystal structure of BhGH81 in complex with laminaro-biose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-21 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.547, 93.854, 159.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.850 - 2.150 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t4a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.279 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.850 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.171 | 0.561 |
| Rpim | 0.084 | 0.326 |
| Number of reflections | 54002 | |
| <I/σ(I)> | 7.8 | 2.2 |
| Completeness [%] | 99.5 | 97.3 |
| Redundancy | 3.8 | 3.4 |
| CC(1/2) | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 291 | 1.2 M NaH2PO4, 0.2 M K2HPO4, 0.1 M citric acid |
