3B9R
SERCA Ca2+-ATPase E2 aluminium fluoride complex without thapsigargin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.066 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.980, 94.430, 136.180 |
| Unit cell angles | 90.00, 107.79, 90.00 |
Refinement procedure
| Resolution | 19.986 - 3.000 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xp5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | DM |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.091 | 0.749 |
| Number of reflections | 63839 | |
| <I/σ(I)> | 12.93 | 1.94 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.7 | 4.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | 12% PEG2000, 200mM MgSO4, 6% MPD, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
