3N8G
Structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Detector technology | CCD |
Collection date | 2004-01-13 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.000, 76.000, 151.000 |
Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
Resolution | 30.132 - 2.585 |
R-factor | 0.2035 |
Rwork | 0.202 |
R-free | 0.24550 |
Structure solution method | Re-refinement |
Starting model (for MR) | 1t5s |
RMSD bond length | 0.007 |
RMSD bond angle | 1.093 |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.660 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.092 | 0.750 |
Number of reflections | 53349 | |
<I/σ(I)> | 2.8 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 929Kk, temperature 292K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 929Kk, temperature 292K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 929Kk, temperature 292K |