4A67
Mutations in the neighbourhood of CotA-laccase trinuclear site: D116E mutant
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 315r |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 101.690, 101.690, 136.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 88.070 - 2.100 |
| R-factor | 0.1845 |
| Rwork | 0.183 |
| R-free | 0.21945 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w6l |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.524 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.070 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.050 | 0.250 |
| Number of reflections | 46481 | |
| <I/σ(I)> | 12.6 | 2.9 |
| Completeness [%] | 96.3 | 90 |
| Redundancy | 3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 30% DIOXANE IN 0.1M HEPES BUFFER AT PH 7.5 |
