1XP5
Structure Of The (Sr)Ca2+-ATPase E2-AlF4- Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Wavelength(s) | 0.97564 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 86.510, 119.270, 142.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.000 - 3.000 |
R-factor | 0.245 |
Rwork | 0.237 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | individual domains derived from the E2-thapsigargin and Ca2E1-ADP:AlF4- structures |
RMSD bond length | 0.008 |
RMSD bond angle | 1.545 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 3.070 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 27910 | |
<I/σ(I)> | 13.7 | 2.1 |
Completeness [%] | 92.5 | 95.1 |
Redundancy | 4.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | PEG 6000, tert-butanol, glycerol, KCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |