8V5E
IpaD (122-321) Pi-helix Mutant (delta Q148) Bound to Deoxycholate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.612, 70.313, 171.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.649 - 2.200 |
R-factor | 0.1988 |
Rwork | 0.197 |
R-free | 0.22970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.579 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.061 | 0.042 | 0.570 |
Rmeas | 0.064 | 0.044 | 0.613 |
Rpim | 0.018 | 0.013 | 0.216 |
Number of reflections | 27135 | 2948 | 2450 |
<I/σ(I)> | 14.9 | ||
Completeness [%] | 97.3 | 97.9 | 89.8 |
Redundancy | 12 | 12.1 | 6.7 |
CC(1/2) | 0.999 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M HEPES pH 7.5, 0.018 - 0.02 M Magnesium Chloride Hexahydrate, 20% w/v Poly(acrylic acid sodium salt) 5100, 0.3 mM Deoxycholate acid sodium salt |