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. |
