6GTM
Crystal structure of SmbA in complex with ppGpp.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.921, 58.192, 115.253 |
| Unit cell angles | 90.00, 93.06, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.300 |
| R-factor | 0.2138 |
| Rwork | 0.212 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gs8 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.915 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.5.27) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.670 | 49.670 | 3.520 |
| High resolution limit [Å] | 3.260 | 8.620 | 3.260 |
| Rmerge | 0.340 | 0.059 | 1.144 |
| Rmeas | 0.368 | 0.064 | 1.237 |
| Rpim | 0.140 | 0.026 | 0.468 |
| Total number of observations | 153811 | 8113 | 31305 |
| Number of reflections | 22723 | 1295 | 4600 |
| <I/σ(I)> | 6.2 | 20.5 | 1.9 |
| Completeness [%] | 99.8 | 99.4 | 99.3 |
| Redundancy | 6.8 | 6.3 | 6.8 |
| CC(1/2) | 0.982 | 0.999 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M amino acids, 0.1M Sodium HEPES pH 7.5, MOPS (acid),40% v/v ethylene glycol, 20%w/v PEG 8000 |
