5ITP
Structure of the periplasmic binding protein 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 | 2013-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 |
| Unit cell lengths | 114.640, 114.640, 38.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.090 - 1.850 |
| R-factor | 0.1778 |
| Rwork | 0.177 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4POX |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.067 | 0.840 |
| Number of reflections | 47709 | |
| <I/σ(I)> | 14 | 1.4 |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 5 | 3.8 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 30% PEG 4K, 100 mM Tris pH 8.5 and 0.1 mM LiSO4 |
