6F9G
Ligand binding domain of P. putida KT2440 polyamine chemorecpetors McpU in complex putrescine.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9790, 0.979117,0.9767 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 133.984, 164.521, 123.612 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.530 - 2.388 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.23450 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.551 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | Auto-Rickshaw |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.530 | 2.473 |
| High resolution limit [Å] | 2.388 | 2.388 |
| Rmerge | 0.094 | 0.598 |
| Rmeas | 0.114 | 0.727 |
| Rpim | 0.062 | 0.403 |
| Number of reflections | 52459 | 4922 |
| <I/σ(I)> | 8.8 | 1.51 |
| Completeness [%] | 96.3 | 90.98 |
| Redundancy | 3 | 2.8 |
| CC(1/2) | 0.995 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6 | 293 | 30% PEG 4K, 0.2M NH4-acetate, 0.1M Na-acetate pH 6.0 |
