9G9Q
Crystal structure of PbdA bound to p-methoxybenzoate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.170, 55.110, 64.260 |
| Unit cell angles | 99.87, 94.90, 103.24 |
Refinement procedure
| Resolution | 52.595 - 2.030 |
| Rwork | 0.164 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.202 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.77)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.595 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.171 | 1.553 |
| Rpim | 0.950 | |
| Number of reflections | 43063 | 2096 |
| <I/σ(I)> | 6.1 | 0.75 |
| Completeness [%] | 97.9 | 96.46 |
| Redundancy | 3.57 | 3.6 |
| CC(1/2) | 0.990 | 0.304 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.8 M sodium phosphate, 0.8 M potassium phosphate, 0.1 M HEPES pH 7.5 |
