3EPU
Crystal Structure of STM2138, a novel virulence chaperone in Salmonella
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.838, 46.832, 65.936 |
| Unit cell angles | 90.00, 106.39, 90.00 |
Refinement procedure
| Resolution | 33.400 - 2.500 |
| R-factor | 0.21635 |
| Rwork | 0.214 |
| R-free | 0.25256 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k3e |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.064 | 0.316 |
| Number of reflections | 10664 | |
| <I/σ(I)> | 13.5 | 3.4 |
| Completeness [%] | 98.5 | 94.6 |
| Redundancy | 3.62 | 3.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM Bis-Tris propane, 200 mM MgCl2, 35% PEG 3350, 3.95 mM FOS-choline-9, 5% (v/v) Jeffamine M-600, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
