8APV
Crystal Structure of H. influenzae TrmD in complex with Compound 27
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 | 94.630, 94.630, 178.015 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.360 - 2.400 |
Rwork | 0.178 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yvh |
RMSD bond length | 0.014 |
RMSD bond angle | 1.898 |
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] | 47.360 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.170 | 0.929 |
Rmeas | 0.199 | 1.124 |
Rpim | 0.102 | 0.624 |
Number of reflections | 12287 | 1275 |
<I/σ(I)> | 11.6 | |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | 5.7 |
CC(1/2) | 0.994 | 0.696 |
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 |