4V1X
The structure of the hexameric atrazine chlorohydrolase, AtzA
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 | 2014-07-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.269, 146.056, 196.361 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 117.190 - 2.200 |
| R-factor | 0.16703 |
| Rwork | 0.166 |
| R-free | 0.19631 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.675 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.240 | 1.150 |
| Number of reflections | 170140 | |
| <I/σ(I)> | 11.6 | 3.2 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 15.1 | 15.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.3 | THE PROTEIN (AFTER HIS-TAG REMOVAL) WAS CONCENTRATED TO 11 MG/ML AND SET IN A 1:1 RATIO, 200 NL PLUS 200 NL, WITH 50 MM HEPES PH 7.3, 4.6 % PEG 10,000. |
