6BJU
The structure of AtzH: a little known member of the atrazine breakdown pathway
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 | PIXEL |
| Collection date | 2017-08-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.809, 51.831, 59.679 |
| Unit cell angles | 99.81, 102.15, 92.48 |
Refinement procedure
| Resolution | 50.400 - 1.640 |
| R-factor | 0.20033 |
| Rwork | 0.199 |
| R-free | 0.22812 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.856 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.400 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.077 | 0.581 |
| Rpim | 0.077 | 0.581 |
| Number of reflections | 71033 | 3498 |
| <I/σ(I)> | 7.8 | 1.9 |
| Completeness [%] | 97.2 | 95.3 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.995 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Protein was at 4 mg/mL and set up in equal volume with the reservoir (150 nL plus 150 nL) with the reservoir conditions being: 20% (w/v) PEG 6000, 2.5% tert-butanol (v/v) and 100 mM sodium citrate buffer at pH 5.5 |
