4XOU
Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser.
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] | 291 |
| Detector technology | PIXEL |
| Collection date | 2012-07-06 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 2.066 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.000, 76.300, 151.100 |
| Unit cell angles | 90.00, 109.00, 90.00 |
Refinement procedure
| Resolution | 59.870 - 2.800 |
| R-factor | 0.3052 |
| Rwork | 0.304 |
| R-free | 0.34280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n8g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.762 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1702)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.900 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 42416 | |
| <I/σ(I)> | 1.13 | 0.39 |
| Completeness [%] | 98.1 | 85.5 |
| Redundancy | 17.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | PEG 6000, sodium acetate, glycerol, tert-butanol, beta-mercaptoethanol |
