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 |