5ORG
Structure of the periplasmic binding protein (PBP) OccJ from A. tumefaciens B6 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 | 2011-03-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 99.490, 99.490, 157.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.140 - 1.990 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pow |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.400 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 54705 | |
| <I/σ(I)> | 14 | 1.7 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 25% PEG 4000, 0.1M Tris pH8.5, 0.1M acetate NH4 |
