9HNO
Structure of the (6-4) photolyase of Caulobacter crescentus in its iron sulfur cluster oxidized state determined by serial femtosecond crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2022-11-04 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.800, 103.400, 104.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.900 - 2.300 |
| R-factor | 0.2195 |
| Rwork | 0.217 |
| R-free | 0.26440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.482 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.900 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 1.095 |
| Number of reflections | 47810 | 2436 |
| <I/σ(I)> | 10.55 | 1.49 |
| Completeness [%] | 100.0 | |
| Redundancy | 1090 | |
| CC(1/2) | 0.998 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 293 | 0.1 M Tris (pH 8.5) 0.2 M MgCl2 20% (w/v) PEG3350 |
