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 |