3TQJ
Structure of the superoxide dismutase (Fe) (sodB) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-28 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.102, 65.285, 110.069 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.150 - 2.004 |
| R-factor | 0.23494 |
| Rwork | 0.233 |
| R-free | 0.27066 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB CODE 1ISA |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.879 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 27752 | |
| <I/σ(I)> | 34.2 | 4.1 |
| Completeness [%] | 93.2 | 71.1 |
| Redundancy | 13.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M imidazole, 10% PEG 8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
