5LOM
Crystal structure of the PBP SocA from Agrobacterium tumefaciens C58 in complex with DFG at 1.5 A resolution
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 | PIXEL |
| Collection date | 2016-06-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.620, 62.030, 84.890 |
| Unit cell angles | 90.00, 101.27, 90.00 |
Refinement procedure
| Resolution | 41.630 - 1.500 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5L9M |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| 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 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.706 | |
| Number of reflections | 64331 | |
| <I/σ(I)> | 11.5 | 2.1 |
| Completeness [%] | 99.2 | 97.2 |
| Redundancy | 6.71 | 6 |
| CC(1/2) | 0.997 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 30% PEG 4K, 100mM Tris |
