5G6V
Crystal structure of the PCTAIRE1 kinase in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-06 |
Detector | DECTRIS PILATUS |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 57.190, 86.940, 146.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.940 - 2.200 |
R-factor | 0.21098 |
Rwork | 0.208 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.349 |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.980 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.090 |
Number of reflections | 37175 |
<I/σ(I)> | 9.4 |
Completeness [%] | 98.3 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25% PEG MEDIUM SMEAR (PEG 2000, PEG 3350, PEG 4000, PEG 5000MME) AND 0.1 M CITRATE PH 5.5 |