8P3M
The structure of thiocyanate dehydrogenase mutant form with Lys 281 replaced by Ala from Thioalkalivibrio paradoxus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.150, 142.420, 294.400 |
Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
Resolution | 49.120 - 2.070 |
R-factor | 0.1816 |
Rwork | 0.179 |
R-free | 0.23365 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.816 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.120 | 49.120 | 2.100 |
High resolution limit [Å] | 2.070 | 10.000 | 2.070 |
Rmerge | 0.125 | 0.035 | 0.813 |
Rmeas | 0.153 | 0.043 | 0.993 |
Number of reflections | 485243 | 4362 | 20586 |
<I/σ(I)> | 6.91 | ||
Completeness [%] | 98.8 | ||
Redundancy | 2.92 | ||
CC(1/2) | 0.991 | 0.997 | 0.408 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 0.5 M (NH4)2SO4, 0.1 M Sodium citrate tribasic dihydrate, pH 5.6, 0.7 M Li2SO4 |