5NEC
Crystal structure of the siderophore receptor PiuD from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.522, 136.452, 118.955 |
| Unit cell angles | 90.00, 132.04, 90.00 |
Refinement procedure
| Resolution | 91.030 - 2.300 |
| R-factor | 0.2239 |
| Rwork | 0.223 |
| R-free | 0.24911 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fok |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.423 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.081 | 1.044 |
| Number of reflections | 86146 | 7235 |
| <I/σ(I)> | 9.86 | 1.23 |
| Completeness [%] | 97.6 | 85.1 |
| Redundancy | 3.58 | 2.94 |
| CC(1/2) | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 294 | PEG MME 5000, Bicine |
