3ZH8
A novel small molecule aPKC inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 199 |
Detector technology | CCD |
Collection date | 2008-01-27 |
Detector | ADSC CCD |
Spacegroup name | P 31 |
Unit cell lengths | 113.580, 113.580, 82.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.233 - 2.739 |
R-factor | 0.2126 |
Rwork | 0.210 |
R-free | 0.25680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zrz |
RMSD bond length | 0.003 |
RMSD bond angle | 0.687 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.210 | 2.890 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.100 | 0.620 |
Number of reflections | 31307 | |
<I/σ(I)> | 7.4 | 1.24 |
Completeness [%] | 95.6 | 95.1 |
Redundancy | 1.94 | 1.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2M AMMONIUM IODIDE AND 20%(W/V) PEG3350. |