7C8A
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant modified with 2-(bromoacetyl)naphthalene(Naph@ApPrx*)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-21 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 75.999, 103.081, 105.029 |
Unit cell angles | 105.94, 104.94, 92.38 |
Refinement procedure
Resolution | 49.244 - 2.100 |
Rwork | 0.166 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6krk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.594 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.068 | 0.535 |
Number of reflections | 169516 | 8322 |
<I/σ(I)> | 11.8 | 2.5 |
Completeness [%] | 98.1 | |
Redundancy | 3.7 | |
CC(1/2) | 0.998 | 0.833 |
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. |