4OTG
Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Detector technology | CCD |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.453, 73.292, 94.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.26760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.704 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.620 |
High resolution limit [Å] | 2.530 | 5.450 | 2.530 |
Rmerge | 0.119 | 0.068 | 0.657 |
Number of reflections | 13264 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 98.1 | 99.1 | 99.9 |
Redundancy | 5.4 | 4.9 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 100mM Tris pH 8.5, 150-225mM Ammonium acetate, 23-28% PEG 3350, Vapor diffusion |