4QGL
Acireductone dioxygenase from Bacillus anthracis with three cadmium ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 106.761, 57.690, 33.980 |
Unit cell angles | 90.00, 98.15, 90.00 |
Refinement procedure
Resolution | 19.850 - 2.610 |
R-factor | 0.17848 |
Rwork | 0.176 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vr3 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.539 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.111 | 0.511 |
Number of reflections | 5354 | |
<I/σ(I)> | 11.987 | 2.39 |
Completeness [%] | 85.6 | 85.6 |
Redundancy | 2.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | Protein: 5.5mg/ml, in 50 mM Tris-HCl pH 7.8, 150mM NaCl, 1mM CdCl2, Crystallization condition: 62% Tacsimate pH=9.0, 15mM NaCl, 2% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |