3B9B
Structure of the E2 beryllium fluoride complex of the SERCA Ca2+-ATPase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.600, 114.600, 229.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.351 - 2.650 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xp5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.274 | 1.246 |
| Number of reflections | 44824 | |
| <I/σ(I)> | 9.84 | 2.2 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 12.1 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | 18% PEG6000, 50mM MgSO4, 10% glycerol, 4% DMSO, pH 6.8, vapor diffusion, hanging drop, temperature 292K |
