7B4P
A Bacteroidetes bacterium CuZn-superoxide dismutase with CuZn metalation
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.790, 109.593, 122.598 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.700 - 2.700 |
Rwork | 0.240 |
R-free | 0.27830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b4o |
RMSD bond length | 0.002 |
RMSD bond angle | 1.213 |
Data reduction software | Aimless |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.710 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 16195 | 2093 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 100.0 | |
Redundancy | 9.2 | |
CC(1/2) | 0.999 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | .12 M alcohol mix containing 1,6-hexanediol, 1-butanol 1,2-propanediol, 2-propanol, 4-butanediol, 1,3-propanediol; 0.1 M buffer mix containing sodium 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, 3-(N-morpholino)propane sulfonic acid pH 7.5; 37.5 % precipitant mix containing 2-Methyl-2,4-pentanediol, polyethylene glycol 1000, polyethylene glycol 3350 |