7QB2
Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)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 | 2021-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 65 |
Unit cell lengths | 97.785, 97.785, 80.188 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.890 - 2.530 |
R-factor | 0.1593 |
Rwork | 0.157 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ndt |
RMSD bond length | 0.007 |
RMSD bond angle | 0.804 |
Data reduction software | XDS (1.02) |
Data scaling software | XDS (1.02) |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.893 | 2.680 |
High resolution limit [Å] | 2.530 | 2.530 |
Number of reflections | 14667 | 2355 |
<I/σ(I)> | 28.3 | 5.38 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 11.3 | 11.68 |
CC(1/2) | 1.000 | 0.959 |
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 MgOAc |