5XFD
Serial femtosecond X-ray structure of Agrocybe cylindracea galectin with lactose solved by Se-SAD using XFEL (refined against 60,000 patterns)
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 | 2015-10-07 |
| Detector | MPCCD |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 65 |
| Unit cell lengths | 105.795, 105.795, 75.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.489 - 1.500 |
| R-factor | 0.1495 |
| Rwork | 0.149 |
| R-free | 0.16250 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.478 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 9.500 | 9.497 | 1.560 |
| High resolution limit [Å] | 1.500 | 3.088 | 1.500 |
| Number of reflections | 150810 | 16791 | |
| <I/σ(I)> | 6.460021 | 12.72 | 1.45 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 443.377 | 742.1 | 179 |
| CC(1/2) | 0.990 | 0.985 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | PEG1500 |
