5OTA
Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with octopinic acid
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) | 0.979 |
| Spacegroup name | P 32 |
| Unit cell lengths | 115.230, 115.230, 37.840 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.170 - 2.100 |
| R-factor | 0.1788 |
| Rwork | 0.177 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5itp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| 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 | 2.220 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 32842 | |
| <I/σ(I)> | 13.2 | 1.8 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 10.5 |
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 |
