5VXK
2.55 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-H2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.641, 107.913, 174.319 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.122 - 2.550 |
| R-factor | 0.2054 |
| Rwork | 0.202 |
| R-free | 0.27290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j0o |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.536 |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2775) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.880 | 2.660 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.109 | 0.988 |
| Rmeas | 0.119 | 1.072 |
| Rpim | 0.047 | 0.413 |
| Total number of observations | 115312 | |
| Number of reflections | 17875 | |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.998 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Magnesium chloride, 0.1 M Tris-HCl (pH 8.5), 25% PEG 3350 |
