3BI6
Wee1 kinase complex with inhibitor PD352396
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2002-02-09 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.330, 68.330, 157.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.20279 |
Rwork | 0.200 |
R-free | 0.25052 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x8b |
RMSD bond length | 0.026 |
RMSD bond angle | 2.082 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.4.0061) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.620 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.115 | 0.592 |
Number of reflections | 19646 | |
<I/σ(I)> | 50 | 9.2 |
Completeness [%] | 99.5 | 98.7 |
Redundancy | 18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES, NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |