3TIY
CDK2 in complex with NSC 35676
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2011-05-10 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.470, 71.990, 72.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.755 - 1.840 |
Rwork | 0.184 |
R-free | 0.22420 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.283 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.044 | 0.235 |
Number of reflections | 24419 | |
<I/σ(I)> | 34.7 | 7.6 |
Completeness [%] | 98.2 | 93.2 |
Redundancy | 4.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 5 mg/mL CDK2 protein, 1.5 mM NSC 35676, 15% (v/v) Jeffamine ED-2001 (pH 7.5), 100 mM HEPES/NaOH VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |