6AFK
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 MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-27 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.020, 86.020, 149.191 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.770 - 2.750 |
R-factor | 0.18371 |
Rwork | 0.180 |
R-free | 0.24877 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wyq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.047 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.500 | 2.880 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.143 | 1.202 |
Number of reflections | 17233 | 24835 |
<I/σ(I)> | 14 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1M Tris-HCl at pH 8.6-8.8, 20%(v/v) MPD, 20%(w/v) PEG1000, 5%(w/v) PEG200 |