5MCJ
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 14.1 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 | 127.487, 46.749, 174.360 |
Unit cell angles | 90.00, 108.23, 90.00 |
Refinement procedure
Resolution | 82.806 - 2.000 |
R-factor | 0.2252 |
Rwork | 0.224 |
R-free | 0.24390 |
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] | 82.810 | 82.810 | 2.050 |
High resolution limit [Å] | 2.000 | 9.380 | 2.000 |
Rmerge | 0.108 | 0.040 | 1.614 |
Number of reflections | 66457 | ||
<I/σ(I)> | 6.4 | ||
Completeness [%] | 99.8 | 99.7 | 99.9 |
Redundancy | 3.2 | 3 | 3.3 |
CC(1/2) | 0.993 | 0.982 | 0.289 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 289 | 900mM ammonium sulphate, 100mM monosodium citrate |