2X1N
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
Replaces: 2WHAExperimental 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 |
Collection date | 2003-02-12 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.558, 114.257, 157.277 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.750 |
R-factor | 0.20136 |
Rwork | 0.200 |
R-free | 0.25478 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ol1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.548 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.140 | 0.670 |
Number of reflections | 37669 | |
<I/σ(I)> | 12.7 | 1.9 |
Completeness [%] | 98.3 | 98.8 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | PEG3350 20% V/V, 0.1M TRI-SODIUM CITRATE, PH 7.8 |