6J55
Crystal structure of an iron superoxide dismutate (FeSOD) from a pathogenic Acanthamoeba castellanii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.979330 |
Spacegroup name | P 61 |
Unit cell lengths | 127.486, 127.486, 327.064 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.571 - 2.330 |
R-factor | 0.202041589108 |
Rwork | 0.200 |
R-free | 0.24782 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1isa |
RMSD bond length | 0.008 |
RMSD bond angle | 0.966 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.370 |
High resolution limit [Å] | 2.330 | 6.320 | 2.330 |
Rmerge | 0.113 | 0.065 | 0.677 |
Rmeas | 0.115 | 0.065 | 0.693 |
Rpim | 0.019 | 0.010 | 0.150 |
Number of reflections | 128266 | 6500 | 6362 |
<I/σ(I)> | 9.1 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 29.6 | 43.4 | 21.2 |
CC(1/2) | 0.999 | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 12% (w/v) polyethylene glycol 4000, 5% (w/v) 2-propanol and 100 mM HEPES pH 7.5 and 1 mM hexammine cobalt (III) chloride as an additive |