5ITO
Structure of the periplasmic binding protein M117N-NocT from A. tumefaciens in complex with octopine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 |
| Unit cell lengths | 113.590, 113.590, 37.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.980 - 2.350 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4POX |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.490 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.800 |
| Number of reflections | 22829 | |
| <I/σ(I)> | 15.7 | 1.97 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 5.2 | 5.1 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 30% PEG 4K, 0.1 M Tris pH8, 0.1 M LiSO4 |
