9W46
Complex structure of INF2 DID and Calcium bound CaM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97851 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.193, 110.924, 113.576 |
| Unit cell angles | 90.00, 91.88, 90.00 |
Refinement procedure
| Resolution | 31.570 - 2.110 |
| R-factor | 0.1948 |
| Rwork | 0.192 |
| R-free | 0.24390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.293 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.340 | 2.220 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.102 | 0.798 |
| Rmeas | 0.111 | 0.868 |
| Rpim | 0.043 | 0.337 |
| Total number of observations | 343802 | 49897 |
| Number of reflections | 53164 | 7721 |
| <I/σ(I)> | 10.1 | 2.5 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.5 | 6.5 |
| CC(1/2) | 0.997 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 100 mM MES pH 6.5, 200 mM Ammonium sulfate, 30% PEG5000 MME |
