6JOE
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-12 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00001 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 85.505, 85.505, 147.539 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.750 - 2.210 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wyq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
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] | 42.750 | 2.270 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.051 | 0.843 |
Rmeas | 0.057 | 0.968 |
Number of reflections | 32130 | 2724 |
<I/σ(I)> | 21.1 | 3 |
Completeness [%] | 99.8 | 98.8 |
Redundancy | 8.3 | 4 |
CC(1/2) | 0.999 | 0.874 |
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. |