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 |
