3O02
The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Chenodeoxycholate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-12 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 202.216, 52.370, 57.316 |
Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
Resolution | 37.900 - 1.900 |
R-factor | 0.19891 |
Rwork | 0.197 |
R-free | 0.24361 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.442 |
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] | 37.960 | 1.949 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | |
Number of reflections | 44253 | |
<I/σ(I)> | 27.9 | |
Completeness [%] | 97.9 | 81.97 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% (w/v) PEG 3350, 100mM Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |