7NQB
X.ray structure of the oxaliplatin/beta-lactoglobulin adduct
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.870, 112.580, 38.080 |
Unit cell angles | 90.00, 117.64, 90.00 |
Refinement procedure
Resolution | 56.300 - 2.010 |
Rwork | 0.212 |
R-free | 0.28450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zsr |
RMSD bond length | 0.007 |
RMSD bond angle | 1.532 |
Data reduction software | MOSFLM |
Data scaling software | MOSFLM |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.300 | 56.300 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.060 | 0.152 |
Number of reflections | 17918 | 2486 |
<I/σ(I)> | 8.8 | 3.9 |
Completeness [%] | 86.9 | 92.4 |
Redundancy | 2.3 | 1.9 |
CC(1/2) | 0.958 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M KCl, 0.04M HEPES, 35% v/v pentaerythritol propoxylate |