6HQH
Structure of Agrobacterium tumefaciens B6 strain PBP SocA complexed with Deoxyfructosylglutamine (DFG) at 1.8 A resolution
Replaces: 5L9MExperimental 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 | 2014-04-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.340, 63.690, 43.750 |
| Unit cell angles | 90.00, 104.81, 90.00 |
Refinement procedure
| Resolution | 42.300 - 1.800 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.21900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5L9M |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | FFT |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 1.820 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 19258 | |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 94.0 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | PEG 4K |
