6D60
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans
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 | 58.472, 58.472, 232.243 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.230 - 2.220 |
R-factor | 0.2125 |
Rwork | 0.208 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.174 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.220 | 6.020 | 2.220 |
Rmerge | 0.184 | 0.083 | 0.954 |
Rmeas | 0.188 | 0.086 | 0.976 |
Rpim | 0.039 | 0.020 | 0.204 |
Number of reflections | 12593 | 758 | 620 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 99.8 | 97.4 | 100 |
Redundancy | 22.5 | 18.3 | 22.6 |
CC(1/2) | 0.998 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 8000 11 %, 100 mM Tris-HCl, 200 mM MgCl2, 1 mM DTT, pH 8.5 |