6O9P
Wild-type SaSQS1 Complexed with Ibandronate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.550, 58.690, 53.590 |
| Unit cell angles | 90.00, 93.10, 90.00 |
Refinement procedure
| Resolution | 38.960 - 2.100 |
| R-factor | 0.2227 |
| Rwork | 0.221 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uv0 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.630 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.840 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.087 | 0.770 |
| Rpim | 0.057 | 0.524 |
| Number of reflections | 31340 | 2469 |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 95.1 | 91.8 |
| Redundancy | 3.3 | 3 |
| CC(1/2) | 0.997 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 0.2 M KCl, 20% w/v polyethylene glycol 3350 |
