5VVI
Crystal Structure of the Ligand Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens in the Complex with Octopine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97895 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 58.417, 101.985, 112.707 |
| Unit cell angles | 90.00, 98.14, 90.00 |
Refinement procedure
| Resolution | 31.840 - 2.280 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vvh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (DEV_1839) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.840 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Number of reflections | 29566 | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 99.1 | 98.4 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 ammonium acetate, 0.1 M Bis-Tris pH 5.5, 17 5(w/v) PEG 10000 |
