3SQR
Crystal structure of laccase from Botrytis aclada at 1.67 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9815 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.670, 113.500, 79.910 |
| Unit cell angles | 90.00, 108.75, 90.00 |
Refinement procedure
| Resolution | 75.670 - 1.670 |
| R-factor | 0.16628 |
| Rwork | 0.165 |
| R-free | 0.19116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q9o |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.912 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.670 | 1.770 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.038 | 0.434 |
| Number of reflections | 65537 | |
| <I/σ(I)> | 16.35 | 2.13 |
| Completeness [%] | 96.3 | 90.6 |
| Redundancy | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 1 uL 20 mg/mL protein in 25 mM sodium acetate pH 5.0 + 1 uL precipitate solution (1.8 M ammonium sulfate), VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
