3FGO
Crystal Structure of the E2 magnesium fluoride complex of the (SR) Ca2+-ATPase with bound CPA and AMPPCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-11-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.427, 108.872, 274.308 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.934 - 2.500 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2o9j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.268 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.550 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 103185 | |
| <I/σ(I)> | 13.78 | 2.23 |
| Completeness [%] | 97.5 | 98.6 |
| Redundancy | 3.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 290 | 14% PEG 6000, 6% 2-methyl-2,4-pentane diol, 70mM sodium acetate, 10mM manganese chloride, 3mM zwittergent 3-12 , pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
