6U5E
RT XFEL structure of CypA solved using celloluse carrier media
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2017-11-29 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.000, 52.600, 89.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.560 |
| R-factor | 0.1353 |
| Rwork | 0.135 |
| R-free | 0.15090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yum |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.298 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.580 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Number of reflections | 29527 | 1477 |
| <I/σ(I)> | 7.91 | 1.46 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 261 | 40.5 |
| CC(1/2) | 0.993 | 0.586 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 291 | 100 mM HEPES, pH 7.5, 5 mM TCEP, 20% PEG3350 |
