9VNJ
Crystal structure of the transmembrane domain of trimeric autotransporter adhesin AtaA in complex with the N-terminal domain of TpgA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 61.939, 61.939, 428.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.925 - 2.600 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gr7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.169 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.925 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 10168 | 477 |
| <I/σ(I)> | 45.6 | |
| Completeness [%] | 98.5 | 99 |
| Redundancy | 8.4 | 7.9 |
| CC(1/2) | 0.971 | 0.971 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | 35% PEG 400, 0.2 M MES, 0.4 M CaCl2 |
