1P5E
The structure of phospho-CDK2/cyclin A in complex with the inhibitor 4,5,6,7-tetrabromobenzotriazole (TBS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.536, 133.947, 148.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.970 - 2.220 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.970 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.050 * | 0.232 * |
| Number of reflections | 72014 | 6225 * |
| <I/σ(I)> | 10.9 | 3.2 |
| Completeness [%] | 98.5 | 98.5 * |
| Redundancy | 2.8 | 2.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | 277 | 10 mg/ml pCDK2/cyclin A, 0.5 mM TBS, 1.25 M Ammonium Sulphate, 0.85 M KCl, HEPES 100mM, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | pH7.4 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | EDTA | 2 (mM) | |
| 4 | 1 | drop | azide | 0.01 (%) | |
| 5 | 1 | drop | MTG | 0.01 (%(v/v)) | |
| 6 | 1 | drop | protein | 10 (mg/ml) | |
| 7 | 1 | reservoir | ammonium sulfate | 1.25 (M) | |
| 8 | 1 | reservoir | 0.85 (M) | ||
| 9 | 1 | reservoir | HEPES | 100 (mM) | pH7. |
