6RHI
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. Ninth structure of the series with 1215 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 | 56.300, 84.180, 112.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.400 - 1.010 |
R-factor | 0.12089 |
Rwork | 0.120 |
R-free | 0.13782 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e9n |
RMSD bond length | 0.019 |
RMSD bond angle | 1.901 |
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] | 70.000 | 1.040 |
High resolution limit [Å] | 1.010 | 1.010 |
Rmeas | 0.076 | 0.699 |
Number of reflections | 277996 | 20426 |
<I/σ(I)> | 10.4 | 1.9 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 4.6 | |
CC(1/2) | 0.997 | 0.723 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4 | 294 | CRYSTALLIZATION CONDITIONS: 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). |