8HH0
Peroxiredoxin from Thermococcus kodakaraensis (TkPrx) F42C/C46S/C205S/C211S mutant modified with 2-(bromoacetyl)naphthalene (Naph@TkPrx*F42C)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.090, 61.090, 236.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.367 - 2.350 |
Rwork | 0.205 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6iu0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.548 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.367 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.166 | 0.603 |
Number of reflections | 19657 | 1863 |
<I/σ(I)> | 6.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6 | |
CC(1/2) | 0.985 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium acetate 0.1 M sodium acetate (pH 4.6) 30% w/v polyethylene glycol 4,000 |