27RA
Crystal structure of SR Ca2+-ATPase in E2(TG) with bound BA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.144, 71.144, 587.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.910 - 2.500 |
| R-factor | 0.2093 |
| Rwork | 0.207 |
| R-free | 0.25030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2agv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.048 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 46187 | 2311 |
| <I/σ(I)> | 12.2 | 2.2 |
| Completeness [%] | 84.9 | 28.8 |
| Redundancy | 6.6 | 4.4 |
| CC(1/2) | 0.996 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 6.1 | 283 | 25% glycerol, 4% polyethylene glycol 400, 20 mM 2-(N-morpholino)ethanesulfonic acid-NaOH, 5 mM sodium azide, 0.2 mM dithiothreitol, 2ug/ml butylhydroxytoluene, 3 mM EGTA |
