7DE2
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-08 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 157.286, 48.337, 79.638 |
Unit cell angles | 90.00, 101.04, 90.00 |
Refinement procedure
Resolution | 39.080 - 1.900 |
R-factor | 0.1729 |
Rwork | 0.172 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.241 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.130 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.141 | 0.843 |
Number of reflections | 46701 | 3022 |
<I/σ(I)> | 11.1 | 3 |
Completeness [%] | 100.0 | |
Redundancy | 7.4 | |
CC(1/2) | 0.997 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 50 mM Tris-HCl pH 7.0, 20% PEG3350, 20 mM alpha-ketoglutarate, 200 mM NaSCN, and 2 mM DTT |