7OOW
Crystal structure of PIM1 in complex with ARC-1415
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 65 |
Unit cell lengths | 98.614, 98.614, 80.729 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.700 - 1.950 |
R-factor | 0.1614 |
Rwork | 0.160 |
R-free | 0.18380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j2i |
RMSD bond length | 0.013 |
RMSD bond angle | 1.412 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.700 | 42.700 | 2.020 |
High resolution limit [Å] | 1.950 | 7.550 | 1.950 |
Rmerge | 0.099 | 0.090 | 0.948 |
Rmeas | 0.120 | 0.099 | 1.121 |
Rpim | 0.052 | 0.041 | 0.494 |
Number of reflections | 32555 | 577 | 3196 |
<I/σ(I)> | 11 | 3.1 | |
Completeness [%] | 99.9 | 98.8 | 99.9 |
Redundancy | 5.1 | 5.1 | 5 |
CC(1/2) | 0.995 | 0.990 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 15%(w/v) PEG 10000, 0.2M magnesium chloride, 0.1M tris pH 7.9 |