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 |
