7E3Z
Non-Ribosomal Peptide Synthetases, Thioesterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.730, 66.450, 45.290 |
Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
Resolution | 29.067 - 1.450 |
R-factor | 0.1811 |
Rwork | 0.180 |
R-free | 0.20260 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.396 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.070 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.068 | |
Rmeas | 0.074 | |
Rpim | 0.028 | |
Number of reflections | 42069 | 6856 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 98.7 | 96.1 |
Redundancy | 7 | |
CC(1/2) | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 289 | 0.1M BIS-Tris, 0.05M CalCl2, 30% PEG M550 |