7Q6X
OleP mutant S240Y in complex with 6DEB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 248.624, 110.355, 160.046 |
Unit cell angles | 90.00, 129.63, 90.00 |
Refinement procedure
Resolution | 51.340 - 2.700 |
R-factor | 0.20721 |
Rwork | 0.204 |
R-free | 0.26804 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mns |
RMSD bond length | 0.007 |
RMSD bond angle | 1.524 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.340 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 225386 | 36239 |
<I/σ(I)> | 5.59 | |
Completeness [%] | 99.2 | 99.1 |
Redundancy | 4 | |
CC(1/2) | 0.992 | 0.100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | Sodium Formate, 4.4 M |