4AX7
Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.819, 74.679, 93.295 |
| Unit cell angles | 103.97, 103.43, 90.00 |
Refinement procedure
| Resolution | 87.900 - 1.700 |
| R-factor | 0.19027 |
| Rwork | 0.189 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hgy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.216 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.370 |
| Number of reflections | 131667 | |
| <I/σ(I)> | 16.2 | 4.1 |
| Completeness [%] | 96.4 | 95.1 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0 |
