5ZHM
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 | 2016-07-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 84.500, 84.500, 147.271 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.250 - 2.760 |
R-factor | 0.218 |
Rwork | 0.215 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wyq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.090 | 2.910 |
High resolution limit [Å] | 2.760 | 2.760 |
Rmerge | 0.088 | 0.993 |
Number of reflections | 16240 | 24471 |
<I/σ(I)> | 15.2 | |
Completeness [%] | 99.9 | |
Redundancy | 10.3 |
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. |