6DCH
Structure of isonitrile biosynthesis enzyme ScoE
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 | 2017-10-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.100, 62.100, 167.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.242 - 1.800 |
R-factor | 0.1805 |
Rwork | 0.179 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pvj |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.242 | 58.242 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.215 | 0.061 | 1.660 |
Rmeas | 0.220 | 0.063 | 1.693 |
Total number of observations | 758976 | ||
Number of reflections | 31084 | 433 | 2271 |
<I/σ(I)> | 14.22 | 38.35 | 2.56 |
Completeness [%] | 99.0 | 99.8 | 100 |
Redundancy | 24.417 | 18.769 | 26.162 |
CC(1/2) | 0.998 | 0.999 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 200 mM sodium acetate, 100 mM Tris pH 8.5, 30% (w/v) PEG 4000 |