6VCF
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form
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 | 2019-11-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979354 |
| Spacegroup name | P 61 |
| Unit cell lengths | 107.267, 107.267, 491.109 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.149 - 2.687 |
| Rwork | 0.252 |
| R-free | 0.27140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kvc |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.198 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.185 | 1.954 |
| Number of reflections | 88233 | 13897 |
| <I/σ(I)> | 11.77 | 0.97 |
| Completeness [%] | 99.5 | 97.5 |
| Redundancy | 10.5 | 10.1 |
| CC(1/2) | 0.999 | 0.373 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 22% Sokalan PA 25 CL 0.1 M MES-NaOH pH 6 0.1 M NaCl 22% Xylitol |
