8YM2
Crystal structure of AIDA-1 PTB domain in complex with SynGAP NPxF motif
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 | 2021-10-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 112.919, 112.919, 112.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.260 - 2.000 |
| R-factor | 0.21551 |
| Rwork | 0.213 |
| R-free | 0.26378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6itu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.365 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.176 | 0.092 | 2.517 |
| Rmeas | 0.178 | 0.094 | 2.548 |
| Rpim | 0.030 | 0.016 | 0.399 |
| Total number of observations | 635160 | ||
| Number of reflections | 16295 | 871 | 808 |
| <I/σ(I)> | 3.1 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 39 | 35.3 | 40.6 |
| CC(1/2) | 0.995 | 0.999 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.1 | 289 | 1.8 M (NH4)2SO4, 10% 1,4-Dioxane, and 0.1 M MES at pH 7.1 |
