5OT9
Structure of the periplasmic binding protein (PBP) NocT from A.tumefaciens C58 in complex with histopine.
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 | 2013-12-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 |
| Unit cell lengths | 113.810, 113.810, 37.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.280 - 2.450 |
| R-factor | 0.1942 |
| Rwork | 0.193 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5itp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 20178 | |
| <I/σ(I)> | 10.3 | 1.6 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 10.1 | |
| CC(1/2) | 0.996 | 0.571 |
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 |
