6BVQ
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A 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 | 58.608, 58.608, 236.316 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.116 - 2.084 |
R-factor | 0.232 |
Rwork | 0.228 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfu |
RMSD bond length | 0.011 |
RMSD bond angle | 0.935 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
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 | 2.180 |
High resolution limit [Å] | 2.084 | 4.520 | 2.100 |
Rmerge | 0.236 | 0.203 | 0.394 |
Number of reflections | 14268 | 1582 | 1466 |
<I/σ(I)> | 6.6 | ||
Completeness [%] | 94.3 | 91.4 | 100 |
Redundancy | 28.7 | 23.4 | 31.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 8000 15%, 0.1M Tris-HCl, 0.2 M MgCl2, pH 8.5 |