2WMA
Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.792, 131.853, 146.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.800 |
| R-factor | 0.21476 |
| Rwork | 0.211 |
| R-free | 0.28514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h28 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.488 |
| 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] | 100.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.130 | 0.570 |
| Number of reflections | 44032 | |
| <I/σ(I)> | 8.3 | 1.6 |
| Completeness [%] | 99.4 | 92.5 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 10MM HEPES PH 7, 100MM NACL 1.1 TO 1.25M AMMONIUM SULPHATE, 0.7 TO 0.85M KCL |
