3TNW
Structure of CDK2/cyclin A in complex with CAN508
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.050, 134.570, 148.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.935 - 2.000 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.22660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bht omitting the ligand |
RMSD bond length | 0.007 |
RMSD bond angle | 1.038 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.860 | 44.860 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.103 | 0.068 | 0.571 |
Number of reflections | 100421 | ||
<I/σ(I)> | 4.4 | 6 | 1.4 |
Completeness [%] | 99.8 | 99.7 | 99.8 |
Redundancy | 3.8 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 1.1 M ammonium sulphate, 100 mM HEPES, 5 mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |