5ZHN
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 84.670, 84.670, 148.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.040 - 2.650 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wyq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.330 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.057 | 1.313 |
Number of reflections | 18516 | 2392 |
<I/σ(I)> | 22 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.9 | 11.3 |
CC(1/2) | 0.999 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Tris-HCl, pH 8.6-8.8, 20%(v/v) MPD, 20%(w/v) PEG 1000, and 5%(w/v) PEG200; the crystal was soaked with 1mM inhibitor. |