6CD3
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans in complex with 3-HAA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.410, 58.410, 230.814 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.062 - 2.612 |
R-factor | 0.1975 |
Rwork | 0.192 |
R-free | 0.24880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l2n |
RMSD bond length | 0.007 |
RMSD bond angle | 0.974 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
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 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.178 | 0.090 | 0.439 |
Number of reflections | 7693 | 476 | 350 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 98.4 | 95.8 | 87.1 |
Redundancy | 15.2 | 16.1 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 8000 13%, 0.1 M Tris-HCl, 0.2 M MgCl2, pH 8.5 |