5VXM
2.05 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody 20ipaD
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 | C 2 2 21 |
| Unit cell lengths | 58.642, 83.507, 181.609 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.371 - 2.050 |
| R-factor | 0.2117 |
| Rwork | 0.210 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j0o |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.457 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2846) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.990 | 47.990 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.078 | 0.038 | 1.036 |
| Rmeas | 0.085 | 0.042 | 1.127 |
| Rpim | 0.033 | 0.017 | 0.439 |
| Total number of observations | 182091 | 2210 | 14325 |
| Number of reflections | 28469 | 398 | 2191 |
| <I/σ(I)> | 13 | 36.3 | 1.9 |
| Completeness [%] | 99.9 | 98.3 | 100 |
| Redundancy | 6.4 | 5.6 | 6.5 |
| CC(1/2) | 0.998 | 0.998 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | 0.1 M Citric acid (pH 3.5), 25 % (w/v) PEG 3350 |
