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 |
