7Q89
OleP mutant G92W 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 | 2019-05-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 247.758, 110.489, 159.818 |
Unit cell angles | 90.00, 129.66, 90.00 |
Refinement procedure
Resolution | 48.030 - 2.080 |
R-factor | 0.17331 |
Rwork | 0.170 |
R-free | 0.22779 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mns |
RMSD bond length | 0.012 |
RMSD bond angle | 1.857 |
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] | 48.100 | 2.080 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.080 | |
Number of reflections | 462764 | 227594 |
<I/σ(I)> | 7.34 | |
Completeness [%] | 98.8 | 97.8 |
Redundancy | 3.4 | 3 |
CC(1/2) | 0.997 | 0.323 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Sodium Formate 4.4M |