6J17
ATPase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.363, 56.628, 93.532 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.350 - 1.975 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.22750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nh0 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.328 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 5.350 | 1.970 |
| Rmerge | 0.116 | 0.052 | 0.448 |
| Rmeas | 0.127 | 0.057 | 0.517 |
| Rpim | 0.051 | 0.023 | 0.249 |
| Total number of observations | 106252 | ||
| Number of reflections | 19248 | 1155 | 679 |
| <I/σ(I)> | 4.2 | ||
| Completeness [%] | 93.2 | 99.8 | 67.3 |
| Redundancy | 5.5 | 5.9 | 3.7 |
| CC(1/2) | 0.998 | 0.777 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Hepes/sodium hydroxide pH 7.5, 0.2 M sodium chloride, 20% (w/v) PEG3000 |
