6RGH
Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. First structure of the series with 15 KGy dose.
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 | PIXEL |
Collection date | 2017-10-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.886 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.230, 84.129, 112.356 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.340 - 1.080 |
R-factor | 0.11938 |
Rwork | 0.118 |
R-free | 0.13981 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e9n |
RMSD bond length | 0.021 |
RMSD bond angle | 1.940 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.110 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmeas | 0.086 | 0.694 |
Number of reflections | 227170 | 16633 |
<I/σ(I)> | 9.21 | |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.7 | |
CC(1/2) | 0.998 | 0.723 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4 | 294 | Protein solution (12mg/ml, 20 mM K-phosphate buffer, pH 6.5) Reservoir solution (0.1 M citrate-phosphate buffer pH 4.0, 0.2 M ammonium acetate, 25% PEG 4000). |