8APT
Crystal Structure of H. influenzae TrmD in complex with Compound 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-09-10 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 94.671, 94.671, 177.958 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.380 - 1.800 |
| Rwork | 0.161 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yvh |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.847 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.380 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.157 | 1.186 |
| Rmeas | 0.174 | 1.357 |
| Rpim | 0.075 | 0.643 |
| Number of reflections | 28700 | 1639 |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 99.8 | |
| Redundancy | 10.5 | 7.3 |
| CC(1/2) | 0.997 | 0.559 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG3350 0.1 M HEPES, pH 7.5 0.1 M potassium citrate tribasic |
