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 |