4XNN
Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-25 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.290, 47.020, 173.500 |
| Unit cell angles | 90.00, 108.23, 90.00 |
Refinement procedure
| Resolution | 43.600 - 1.900 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yg1 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.876 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.600 | 43.600 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.065 | 0.028 | 0.584 |
| Rmeas | 0.091 | 0.040 | 0.826 |
| Total number of observations | 241715 | ||
| Number of reflections | 75459 | 1313 | 10259 |
| <I/σ(I)> | 7.85 | 21.07 | 1.46 |
| Completeness [%] | 90.0 | 77.3 | 91 |
| Redundancy | 1.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 800mM ammonium sulphate, 100mM sodium citrate, 10mM sodium acetate, 50mM sodium chloride |
