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 |