7A43
Fluoroacetate Dehalogenase measured by serial femtosecond crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2016-04-14 |
| Detector | MPCCD |
| Wavelength(s) | 1.22 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.900, 79.900, 84.800 |
| Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
| Resolution | 33.080 - 1.750 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r3u |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.252 |
| Data reduction software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18_3855) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.080 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 54828 | 5457 |
| <I/σ(I)> | 3.88 | |
| Completeness [%] | 100.0 | |
| Redundancy | 101.92 | |
| CC(1/2) | 0.931 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 18-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5 |
