5TRX
Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2015-06-27 |
Detector | CS-PAD CXI-2 |
Wavelength(s) | 1.5498 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 111.570, 154.860, 101.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.380 |
R-factor | 0.1869 |
Rwork | 0.184 |
R-free | 0.23210 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3ojt |
RMSD bond length | 0.011 |
RMSD bond angle | 1.358 |
Data reduction software | CrystFEL (0.6.2-984ba3a8) |
Data scaling software | CrystFEL (0.6.2-984ba3a8) |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.500 | 2.470 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 71326 | 6975 |
<I/σ(I)> | 2.43 | 3.42 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 26.5 | 13 |
CC(1/2) | 0.810 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.8 | 293 | Precipitant added to enzyme solution at 1:1 ratio: 12-14% PEG6000, 0.1-0.14 M calcium chloride, and 0.1 M MES pH 5.8. Crystallization carried out in a tube to produce saturated slurry of micro crystals |