6XJJ
Structure of non-heme iron enzyme TropC: Radical tropolone biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.014, 111.014, 89.889 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.070 - 2.700 |
R-factor | 0.2122 |
Rwork | 0.210 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c3q |
RMSD bond length | 0.005 |
RMSD bond angle | 0.890 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.070 | 2.873 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.070 | 1.073 |
Rmeas | 0.085 | 0.035 |
Rpim | 0.034 | 0.720 |
Number of reflections | 17040 | 2288 |
<I/σ(I)> | 14.4 | 1.7 |
Completeness [%] | 95.4 | 97.7 |
Redundancy | 5.9 | 6 |
CC(1/2) | 0.990 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.2 M Magnesium acetate, 20% PEG 8000, 0.01 M Yttrium (III) chloride hexahydrate |