5L9O
Crystal structure of Agrobacterium tumefaciens C58 strain PBP SocA in complex with glucopine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.600, 62.290, 84.230 |
| Unit cell angles | 90.00, 101.40, 90.00 |
Refinement procedure
| Resolution | 33.830 - 1.840 |
| R-factor | 0.219 |
| Rwork | 0.218 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ymx |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| 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] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 33762 | |
| <I/σ(I)> | 12.74 | |
| Completeness [%] | 96.3 | |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 36% PEG 4K, 0.1 M HEPES pH 7.5 |
