5A3R
Crystal structure of the (SR) Calcium ATPase E2.BeF3- complex bound to TNP-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 | 2011-02-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.530, 114.967, 227.699 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.484 - 3.050 |
| R-factor | 0.2163 |
| Rwork | 0.214 |
| R-free | 0.25680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b9b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.604 |
| 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] | 80.900 | 3.240 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.140 | 1.050 |
| Number of reflections | 29733 | |
| <I/σ(I)> | 12.4 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 285 | 37% (W/V) PEG400, 25 MM MGCL2, AND 50 MM GLYCINE. THE CRYSTALLIZATION DROP WAS EQUILIBRATED AT 12 DEGREES C, AND THE CRYSTAL WAS FLASH FROZEN 6 DAYS AFTER SET-UP., pH 6.8 |
