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 |
