2WFY
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.621, 115.813, 157.911 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.530 |
R-factor | 0.19466 |
Rwork | 0.193 |
R-free | 0.25878 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1okv |
RMSD bond length | 0.013 |
RMSD bond angle | 1.608 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.560 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.300 | 0.300 |
Number of reflections | 46387 | |
<I/σ(I)> | 9 | 1.34 |
Completeness [%] | 80.0 | 70 |
Redundancy | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | PEG3350 30% V/V, 0.1M TRI-SODIUM CITRATE, pH 7.8 |