8R1P
Pim1 in complex with 6-bromobenzo[d]oxazol-2-amine 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 | 2021-05-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 65 |
Unit cell lengths | 97.313, 97.313, 80.837 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.440 - 2.450 |
R-factor | 0.1778 |
Rwork | 0.176 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.845 |
Data reduction software | XDS (3.1.9) |
Data scaling software | XDS (3.1.9) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.660 | 2.460 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 16085 | 2575 |
<I/σ(I)> | 29.2 | |
Completeness [%] | 99.8 | |
Redundancy | 11.4 | |
CC(1/2) | 1.000 | 0.940 |
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 |