4AX6
HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.540, 52.960, 66.540 |
| Unit cell angles | 77.33, 78.60, 75.66 |
Refinement procedure
| Resolution | 64.170 - 2.300 |
| R-factor | 0.20643 |
| Rwork | 0.204 |
| R-free | 0.25448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hgy |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.984 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.700 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.200 | 0.440 |
| Number of reflections | 31621 | |
| <I/σ(I)> | 6.7 | 3.2 |
| Completeness [%] | 98.3 | 97.9 |
| Redundancy | 3.8 | 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 |
