6HEF
Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293.15 |
| Detector technology | CCD |
| Collection date | 2018-03-08 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.840, 77.770, 152.220 |
| Unit cell angles | 90.00, 109.28, 90.00 |
Refinement procedure
| Resolution | 45.039 - 3.538 |
| R-factor | 0.2243 |
| Rwork | 0.223 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n8g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.716 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2614) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.039 | 3.665 |
| High resolution limit [Å] | 3.538 | 3.538 |
| Rmerge | 0.305 | 1.111 |
| Rmeas | 0.343 | 1.241 |
| Rpim | 0.153 | 0.542 |
| Number of reflections | 22565 | |
| <I/σ(I)> | 4.63 | |
| Completeness [%] | 94.9 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 293.15 | PEG 6000, ter-butanol, sodium acetate, potassium chloride, magnesium chloride, glycerol, C12E8, AMPPCP, BME, MOPS pH 6.8, BATCH, temperature 293.15K |
