1T5S
Structure of the (SR)Ca2+-ATPase Ca2-E1-AMPPCP form
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 | 2004-02-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.439, 76.259, 151.164 |
Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.600 |
R-factor | 0.24288 |
Rwork | 0.242 |
R-free | 0.28529 |
Structure solution method | SIRAS + SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.564 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.9999) |
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)> | 24.1 | 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, tert-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | PEG 6000, tert-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | PEG 6000, tert-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, MOPS, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |