1GY3
pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 150.710, 164.100, 72.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.25 * |
Rwork | 0.250 |
R-free | 0.31300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qmz |
RMSD bond length | 0.020 * |
RMSD bond angle | 2.000 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.810 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.143 | 0.487 |
Total number of observations | 319218 * | |
Number of reflections | 45572 | |
<I/σ(I)> | 4.2 | 1.5 |
Completeness [%] | 84.4 | 40.7 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 | 4 * | CRYSTALS WERE GROWN BY VAPOUR DIFFUSION AT 4C FROM SOLUTIONS CONTAINING 10 MG/ML PCDK2/CYCLIN A, 100 MM HEPES PH7.0, 2 MM SUBSTRATE PEPTIDE, 1MM ADP, 1.0 M LI2SO4. CRYSTALS WERE TRANSFERRED TO 20%PEG 8K, 100 MM HEPES PH 7.0, 10 MM SUBSSTRATE PEPTIDE, 5 MM MG(NO3)2 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | pCDK2/cyclinA | 10 (mg/ml) | |
2 | 1 | drop | HEPES | 100 (mM) | pH7.0 |
3 | 1 | drop | peptide | 2 (mM) | |
4 | 1 | drop | ADP | 1 (mM) | |
5 | 1 | drop | 1.05-1.15 (M) |