6YSO
Crystal structure of the (SR) Ca2+-ATPase solved by vanadium SAD phasing
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 60 |
| Detector technology | PIXEL |
| Collection date | 2019-05-03 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 2.26009 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.140, 94.390, 135.110 |
| Unit cell angles | 90.00, 107.05, 90.00 |
Refinement procedure
| Resolution | 64.585 - 3.130 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25860 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.697 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CRANK2 |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 129.200 | 3.220 |
| High resolution limit [Å] | 3.129 | 3.129 |
| Rmerge | 0.259 | |
| Rpim | 0.059 | |
| Number of reflections | 108998 | 4573 |
| <I/σ(I)> | 14.9 | 1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 38.7 | 34.4 |
| CC(1/2) | 0.990 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 19% PEG2K MME, 11% Glycerol, 0.1M MgCl2, 6% 1-Butanol |
