4QGM
Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.215, 49.522, 33.349 |
| Unit cell angles | 90.00, 99.95, 90.00 |
Refinement procedure
| Resolution | 52.310 - 2.970 |
| R-factor | 0.1861 |
| Rwork | 0.184 |
| R-free | 0.23423 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vr3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.358 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 (MOLREP) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.112 | 0.473 |
| Number of reflections | 3560 | |
| <I/σ(I)> | 11.046 | 2.919 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.7 |
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 CdCl, Crystallization condition: 62% Tacsimate pH=9.0, 0.0075M CdCl2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
