4WHK
A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2013-05-10 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 37.592, 39.651, 39.942 |
Unit cell angles | 93.73, 97.09, 102.92 |
Refinement procedure
Resolution | 39.460 - 1.800 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hih |
RMSD bond length | 0.020 |
RMSD bond angle | 1.981 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.035 | 0.025 | 0.129 |
Total number of observations | 47511 | ||
Number of reflections | 20085 | ||
<I/σ(I)> | 20.6 | ||
Completeness [%] | 97.1 | 95.6 | 96 |
Redundancy | 2.4 | 2.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.4M K-Na tartrate |