8PB6
PsiM in complex with SAH and baeocystin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-04 |
Detector | DECTRIS EIGER2 X CdTe 16M |
Wavelength(s) | 0.6888 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.226, 78.540, 83.725 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.270 - 0.930 |
R-factor | 0.1385 |
Rwork | 0.138 |
R-free | 0.15180 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.162 |
Data reduction software | xia2 (3.12.0) |
Data scaling software | xia2 (3.12.0) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.270 | 0.963 |
High resolution limit [Å] | 0.930 | 0.930 |
Rmerge | 0.088 | 2.682 |
Rmeas | 0.092 | 2.785 |
Rpim | 0.025 | 0.746 |
Number of reflections | 217116 | 19758 |
<I/σ(I)> | 11.39 | 0.45 |
Completeness [%] | 99.1 | 91.74 |
Redundancy | 13.5 | 13.7 |
CC(1/2) | 0.999 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Tris/HCl pH 8.5, 20% PEG 8000, 200 mM MgCl2 |