7PD2
Crystal structure of the substrate-free radical SAM tyrosine lyase ThiH (2-iminoacetate synthase) from Thermosinus carboxydivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 175.090, 49.330, 85.210 |
Unit cell angles | 90.00, 96.91, 90.00 |
Refinement procedure
Resolution | 47.460 - 1.990 |
R-factor | 0.2318 |
Rwork | 0.230 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pd1 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.460 | 2.040 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 94609 | 6300 |
<I/σ(I)> | 6.11 | |
Completeness [%] | 97.0 | |
Redundancy | 6.1 | |
CC(1/2) | 0.230 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.4-1.6 M (NH4)2SO4, 100 mM MES buffer pH 6.5, 15% dioxane |