6RK2
Complex structure of virulence factor SghA mutant with its substrate SAG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.615, 80.371, 183.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.689 - 2.090 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rjk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.210 |
| High resolution limit [Å] | 2.090 | 2.100 |
| Rmeas | 0.090 | 0.240 |
| Rpim | 0.050 | 0.120 |
| Number of reflections | 185327 | 4523 |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 99.2 | 98.1 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (w/v) PEG 3350 and 0.4 M ammonium formate |
