6VCH
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979356 |
Spacegroup name | P 61 |
Unit cell lengths | 107.250, 107.250, 490.238 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.130 - 2.350 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.23370 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6vcg |
RMSD bond length | 0.005 |
RMSD bond angle | 1.297 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.130 | 2.060 |
Number of reflections | 131487 | 21124 |
<I/σ(I)> | 12.83 | 1.05 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 10.6 | |
CC(1/2) | 0.999 | 0.442 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 22% Sokalan PA 25 CL 0.1 M Mes-NaOH pH 6 0.1 M NaCl 13% Xylitol 5% glycerol |