4G2S
Crystal structure of a Salmonella type III secretion system protein
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-03 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.940, 120.580, 78.280 |
| Unit cell angles | 90.00, 96.70, 90.00 |
Refinement procedure
| Resolution | 47.690 - 1.858 |
| R-factor | 0.2308 |
| Rwork | 0.229 |
| R-free | 0.25710 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.836 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.745 | 47.643 | 1.960 |
| High resolution limit [Å] | 1.858 | 5.880 | 1.858 |
| Rmerge | 0.032 | 0.227 | |
| Total number of observations | 3367 | 14720 | |
| Number of reflections | 50809 | ||
| <I/σ(I)> | 10.7 | 15 | 3.3 |
| Completeness [%] | 96.8 | 94.2 | 89.4 |
| Redundancy | 2.2 | 2.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 15-20% PEG6000, 0.02 M calcium chloride, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
