5XXK
Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-10 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.975 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.520, 106.410, 39.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.160 - 1.660 |
R-factor | 0.18856 |
Rwork | 0.187 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4umn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.452 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.160 | 1.700 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.047 | 0.685 |
Rpim | 0.022 | 0.323 |
Number of reflections | 33120 | 2414 |
<I/σ(I)> | 16.6 | 2.3 |
Completeness [%] | 99.4 | 99 |
Redundancy | 6.4 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 289 | 0.04M Citric acid, 0.06M Bis-Tris propane pH 6.4, 20% (v/v) PEG 3350 |