1AQ1
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE AREA DETECTOR |
| Collection date | 1996-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.500, 70.500, 73.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| Rwork | 0.220 |
| R-free | 0.26000 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1hck |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.101 * | 0.500 |
| Total number of observations | 53349 * | |
| Number of reflections | 17731 | |
| <I/σ(I)> | 5.7 | 1.4 |
| Completeness [%] | 92.9 | 89.4 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.4 | 20 * | PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM STAUROSPORINE IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM STAUROSPORINE IN 100% DMSO., vapor diffusion |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | CDK2 | 10 (mg/ml) | |
| 2 | 1 | drop | 15 (mM) | ||
| 3 | 1 | drop | HEPES | 10 (mM) | |
| 4 | 1 | reservoir | 50 (mM) | ||
| 5 | 1 | reservoir | PEG4000 | 10 (%) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) |
