6D62
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 3-HAA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-12 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97919 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.881, 58.881, 232.305 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.441 - 1.770 |
R-factor | 0.1892 |
Rwork | 0.187 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.006 |
RMSD bond angle | 0.848 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
Rmerge | 0.082 | 0.054 | 0.314 |
Rmeas | 0.087 | 0.058 | 0.333 |
Rpim | 0.028 | 0.019 | 0.109 |
Number of reflections | 24171 | 1330 | 1151 |
<I/σ(I)> | 8.6 | ||
Completeness [%] | 98.6 | 91.2 | 97.9 |
Redundancy | 9.9 | 8.2 | 9 |
CC(1/2) | 0.997 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 8000 10%, 1 mM DTT, 100 mM Tris-HCl, 200 mM MgCl2, pH 8.50 |