8G3I
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-07-07 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.105, 105.474, 107.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.500 - 3.020 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.24770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.547 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.500 | 3.130 |
High resolution limit [Å] | 3.020 | 3.020 |
Number of reflections | 23809 | 2268 |
<I/σ(I)> | 4.68 | |
Completeness [%] | 98.0 | |
Redundancy | 2 | |
CC(1/2) | 0.992 | 0.430 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | PEG 3350, Magnesium formate |