3MI1
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
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 | CCD |
Collection date | 2009-07-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 128.046, 140.876, 168.048 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.520 - 1.740 |
R-factor | 0.14948 |
Rwork | 0.148 |
R-free | 0.17376 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.370 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.740 |
Rmerge | 0.084 |
Number of reflections | 145939 |
<I/σ(I)> | 10.3 |
Completeness [%] | 99.7 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 1.5-1.8 M ammonium sulfate, 40-60 mM TRIS pH8.5, with 5 mM BME, varying ML:ENZ ratios from 1:2 up to 4:1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |