4AU0
Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.980, 52.480, 66.450 |
| Unit cell angles | 76.66, 79.02, 76.02 |
Refinement procedure
| Resolution | 64.000 - 1.700 |
| R-factor | 0.19279 |
| Rwork | 0.191 |
| R-free | 0.23473 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.134 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 66307 | |
| <I/σ(I)> | 9.7 | 2.6 |
| Completeness [%] | 97.4 | 96.1 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 20% PEG5000 MONOMETHYL ETHER, 20MM NA -MES BUFFER PH6.0 |
