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 |