8V7S
IpaD (122-321) 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 | 2018-04-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.631, 44.015, 92.509 |
Unit cell angles | 90.00, 97.20, 90.00 |
Refinement procedure
Resolution | 45.890 - 2.708 |
R-factor | 0.2281 |
Rwork | 0.225 |
R-free | 0.28600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.501 |
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 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.117 | 0.057 | 0.477 |
Rmeas | 0.130 | 0.063 | 0.546 |
Rpim | 0.056 | 0.027 | 0.255 |
Total number of observations | 66496 | ||
Number of reflections | 13359 | 1423 | 1192 |
<I/σ(I)> | 5.6 | ||
Completeness [%] | 96.6 | 97.8 | 89 |
Redundancy | 5 | 5.3 | 3.7 |
CC(1/2) | 0.996 | 0.998 | 0.824 |
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 |