3CQE
Wee1 kinase complex with inhibitor PD074291
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2002-10-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 69.304, 69.304, 157.601 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.21242 |
Rwork | 0.210 |
R-free | 0.26811 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x8b |
RMSD bond length | 0.020 |
RMSD bond angle | 2.146 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.500 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.074 | 0.460 |
Number of reflections | 13764 | |
<I/σ(I)> | 26 | 2 |
Completeness [%] | 98.2 | 82.2 |
Redundancy | 8.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | HEPES, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP |