4BBJ
Copper-transporting PIB-ATPase in complex with beryllium fluoride representing the E2P state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-20 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 242.010, 71.370, 72.430 |
| Unit cell angles | 90.00, 100.01, 90.00 |
Refinement procedure
| Resolution | 48.172 - 2.750 |
| R-factor | 0.2023 |
| Rwork | 0.199 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rfu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.234 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.200 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.120 | 0.970 |
| Number of reflections | 32589 | |
| <I/σ(I)> | 21.27 | 2.94 |
| Completeness [%] | 96.6 | 94.1 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | pH 6.8 |
