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 |