2J90
Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-23 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.765, 95.765, 150.941 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 1YRP 1jkt 1jks 1wvx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.147 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.670 |
Number of reflections | 48089 | |
<I/σ(I)> | 8.7 | 2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 30% PEG 1000 0.1M SPG BUFFER PH 8.0 |