5NL1
Shigella IpaA-VBS3/TBS in complex with the Talin VBS1 domain 488-512
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.260, 96.360, 175.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.330 - 2.500 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sj7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.180 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.083 | |
| Number of reflections | 39441 | |
| <I/σ(I)> | 9.4 | 0.7 |
| Completeness [%] | 99.2 | 95.7 |
| Redundancy | 4.8 | 4.8 |
| CC(1/2) | 0.998 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.2 M ammonium sulfate 0.1 M sodium acetate pH 4.6 30 % PEG 4000 |
