6BVS
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans in complex with 4-Cl-3-HAA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.306, 58.306, 230.483 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.197 - 2.318 |
R-factor | 0.2101 |
Rwork | 0.205 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.009 |
RMSD bond angle | 0.901 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
High resolution limit [Å] | 2.310 | 6.270 | 2.310 |
Rmerge | 0.211 | 0.136 | 0.933 |
Number of reflections | 10918 | 672 | 519 |
<I/σ(I)> | 4 | ||
Completeness [%] | 99.9 | 99 | 99.8 |
Redundancy | 17.6 | 14.5 | 19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 8000 13%, 0.1M Tris-HCl, 0.2 M MgCl2, pH 8.5 |