3U0C
Crystal structure of N-terminal region of Type III Secretion First Translocator IpaB (residues 74-224)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000,1.0719 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.419, 28.379, 104.806 |
| Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
| Resolution | 26.066 - 2.050 |
| R-factor | 0.2478 |
| Rwork | 0.245 |
| R-free | 0.29450 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.066 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.085 | 0.425 |
| Number of reflections | 18186 | |
| <I/σ(I)> | 13.4 | 2.01 |
| Completeness [%] | 91.7 | 59.3 |
| Redundancy | 3.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 0.6 M sodium formate, 21% PEG2000 MME, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
