4HAQ
Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose and cellotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.390, 54.270, 72.670 |
| Unit cell angles | 94.39, 96.33, 94.99 |
Refinement procedure
| Resolution | 44.620 - 1.900 |
| R-factor | 0.168 |
| Rwork | 0.165 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gwa |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.043 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.040 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.513 | |
| Number of reflections | 59787 | |
| <I/σ(I)> | 6.7 | 1.3 |
| Completeness [%] | 96.0 | 95.4 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOUR DIFFUSION | 8 | 289 | 0.2M MAGNESIUM CHLORIDE, 0.1M BIS-TRIS, 25% w/v PEG 3350, PH 8.0, VAPOUR DIFFUSION, SITTING DROP, TEMPERATURE 289K |
