8V7Q
IpaD (122-321) Pi-helix Mutant (delta Q148) Apo Structure
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 | 2021-02-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.962, 69.422, 172.958 |
Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
Resolution | 29.737 - 3.000 |
R-factor | 0.2575 |
Rwork | 0.257 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.408 |
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] | 50.000 | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
Rmerge | 0.074 | 0.031 | 1.040 |
Rmeas | 0.080 | 0.033 | 1.178 |
Rpim | 0.031 | 0.013 | 0.538 |
Number of reflections | 21120 | 2206 | 1875 |
<I/σ(I)> | 11.6 | ||
Completeness [%] | 95.8 | 97.1 | 86.4 |
Redundancy | 6.2 | 6.5 | 4.1 |
CC(1/2) | 1.000 | 0.602 |
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 |