5A3S
Crystal structure of the (SR) Calcium ATPase E2-vanadate complex bound to thapsigargin and TNP-ATP
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 | 2011-06-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 130.556, 93.778, 135.692 |
| Unit cell angles | 90.00, 107.26, 90.00 |
Refinement procedure
| Resolution | 78.906 - 3.300 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a3q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.624 |
| 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] | 93.800 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.100 | 0.860 |
| Number of reflections | 47392 | |
| <I/σ(I)> | 12.5 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | 19% (W/V) PEG2000-MME, 11% (V/V) GLYCEROL, 100 MM MGCL2, 3% (V/V) T-BUTANOL. THE CRYSTALLIZATION DROP WAS EQUILIBRATED AT 19 DEG C, AND THE CRYSTAL WAS FLASH FROZEN 9 DAYS AFTER SET-UP., pH 6.8 |
