8PB4
PsiM in complex with SAH and norbaeocystin, orthorhombic crystal form
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 | 49.234, 78.266, 83.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.390 - 0.910 |
R-factor | 0.1444 |
Rwork | 0.144 |
R-free | 0.15580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.268 |
Data reduction software | xia2 (3.12.0) |
Data scaling software | xia2 (3.12.0) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.390 | 0.943 |
High resolution limit [Å] | 0.910 | 0.910 |
Rmerge | 0.086 | 3.040 |
Rmeas | 0.090 | 3.160 |
Rpim | 0.024 | 0.857 |
Number of reflections | 230836 | 20907 |
<I/σ(I)> | 10.37 | 0.31 |
Completeness [%] | 99.1 | 91.5 |
Redundancy | 13.4 | 13.6 |
CC(1/2) | 0.997 | 0.383 |
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 |