6D61
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 4-Cl-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 | 58.701, 58.701, 231.896 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.351 - 1.740 |
R-factor | 0.2017 |
Rwork | 0.199 |
R-free | 0.23680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.006 |
RMSD bond angle | 0.802 |
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 | 1.770 |
High resolution limit [Å] | 1.740 | 4.720 | 1.740 |
Rmerge | 0.101 | 0.048 | 0.909 |
Rmeas | 0.103 | 0.050 | 0.931 |
Rpim | 0.020 | 0.010 | 0.199 |
Number of reflections | 25473 | 1476 | 1160 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 99.5 | 97.4 | 92.9 |
Redundancy | 26.1 | 22.7 | 21.2 |
CC(1/2) | 0.999 | 0.952 |
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 8.5 |