5MCE
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 5.43 MGy
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 | 2016-02-29 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.203, 46.703, 173.346 |
| Unit cell angles | 90.00, 108.28, 90.00 |
Refinement procedure
| Resolution | 82.300 - 2.000 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 4XNN |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.261 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.5.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.300 | 82.300 | 2.050 |
| High resolution limit [Å] | 2.000 | 9.170 | 2.000 |
| Rmerge | 0.062 | 0.033 | 0.362 |
| Rmeas | 0.074 | ||
| Rpim | 0.041 | ||
| Total number of observations | 215898 | ||
| Number of reflections | 65895 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 99.8 | 99.8 | 99.9 |
| Redundancy | 3.3 | 3 | 3.4 |
| CC(1/2) | 0.995 | 0.983 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289 | 900mM ammonium sulphate, 100mM monosodium citrate |
