3FHH
Crystal structure of the heme/hemoglobin outer membrane transporter ShuA from Shigella dysenteriae
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | FLAT PANEL |
| Collection date | 2008-05-15 |
| Wavelength(s) | 0.9788, 0.9791, 0.9793, 0.9752 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.099, 114.217, 117.085 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.600 |
| R-factor | 0.23978 |
| Rwork | 0.237 |
| R-free | 0.28581 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.489 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.940 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 32798 | |
| <I/σ(I)> | 16.27 | 4.68 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 13-15% PEG 1K, 0.1M MES pH 6.5, 0.1M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
