7C87
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant (ApPrx*F80C)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 |
Unit cell lengths | 76.065, 103.134, 104.956 |
Unit cell angles | 106.03, 104.75, 92.59 |
Refinement procedure
Resolution | 49.227 - 2.200 |
Rwork | 0.156 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6krk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.616 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.049 | 0.222 |
Number of reflections | 146036 | 7276 |
<I/σ(I)> | 9 | 3.4 |
Completeness [%] | 97.7 | |
Redundancy | 2.3 | |
CC(1/2) | 0.997 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | The reservoir solution contained 0.10 M sodium citrate (pH5.5) 0.20 M lithium sulfate 15% (v/v) reagent alcohol. |