8R10
Pim1 in complex with 4-(4-hydroxystyryl)benzoic acid and Pimtide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 65 |
Unit cell lengths | 97.257, 97.257, 80.319 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.630 - 2.200 |
R-factor | 0.1711 |
Rwork | 0.170 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.808 |
Data reduction software | XDS (1.02) |
Data scaling software | XDS (1.02) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.630 | 2.210 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 22099 | 3537 |
<I/σ(I)> | 15.1 | 3.6 |
Completeness [%] | 99.9 | |
Redundancy | 10.3 | |
CC(1/2) | 0.990 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 100 mM bis-tris-propane (pH 7.0), 10% ethylene glycol, 0.3% DMSO, 20% PEG3350, 200 mM Mg(OAc)2 |