2G9X
Structure of Thr 160 phosphorylated CDK2/cyclin A in complex with the inhibitor NU6271
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-16 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.580, 134.986, 148.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.200 - 2.500 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h1r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.190 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.200 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.113 | 0.432 |
Number of reflections | 46238 | |
<I/σ(I)> | 9.3 | 1.7 |
Completeness [%] | 93.0 | 93.1 |
Redundancy | 2.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | ammonium sulphate, potassium chloride, Hepes, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.00 |