7MX5
Crystal structure of TolB from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-01-22 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.498, 98.443, 83.832 |
| Unit cell angles | 90.00, 92.07, 90.00 |
Refinement procedure
| Resolution | 29.630 - 2.420 |
| R-factor | 0.1963 |
| Rwork | 0.194 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w8b |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.667 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.460 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.085 | 0.458 |
| Rpim | 0.052 | |
| Number of reflections | 26751 | 1131 |
| <I/σ(I)> | 10.63 | 1.09 |
| Completeness [%] | 98.8 | 84.7 |
| Redundancy | 3.5 | 2.1 |
| CC(1/2) | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 1.1 M sodium/potassium tartrate, 0.1 M Tris pH 8.5, 2% (w/v) PEG 400 |
