4EZ7
CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2012-04-15 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.239, 70.175, 71.781 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.768 - 2.490 |
Rwork | 0.220 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pxf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.087 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.540 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 9886 | |
<I/σ(I)> | 47.4 | 6.7 |
Completeness [%] | 97.2 | 90 |
Redundancy | 6.9 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2 protein, 50 mM sodium/potassium phosphate, pH 7.5, 50 mM HEPES, pH 7.5, 5% v/v PEG3350, 1 mM staurosporine overnight soak followed by 20 mM ANS soak (50 mM HEPES, 50 mM phosphate, 15% v/v PEG3350, 25% v/v glycerol), VAPOR DIFFUSION, HANGING DROP, temperature 291K |