8FTY
Crystal structure of the carotenoid isomerooxygenase, NinaB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 349.934, 52.036, 210.036 |
Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
Resolution | 49.670 - 1.950 |
R-factor | 0.21891 |
Rwork | 0.217 |
R-free | 0.24677 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.844 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.152 | 1.401 |
Number of reflections | 271195 | 42167 |
<I/σ(I)> | 5.6 | 0.92 |
Completeness [%] | 98.6 | 95.7 |
Redundancy | 3.9 | |
CC(1/2) | 0.996 | 0.435 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 40% (v/v) MPD 100 mM sodium cacodylate, pH 6.5 5% w/v PEG 8000 |