4A68
Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER PT135 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 101.548, 101.548, 136.717 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 87.940 - 2.000 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.20013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w6l |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.453 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.940 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.360 |
| Number of reflections | 55571 | |
| <I/σ(I)> | 12.4 | 2.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 8% PEG 6000 WITH 25% OF 2-METHYL-2,4-PENTANEDIOL (MPD) IN 0.1M HEPES BUFFER AT PH 7.5 |
