4JET
2.2A resolution structure of Holo hemophore HasA from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.369, 69.559, 232.317 |
| Unit cell angles | 90.00, 100.12, 90.00 |
Refinement procedure
| Resolution | 38.624 - 2.200 |
| R-factor | 0.1686 |
| Rwork | 0.166 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jer |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.158 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1148) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 228.701 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.087 | 0.668 |
| Number of reflections | 109337 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 98.2 | 97.7 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.8 | 293 | 20% (w/v) PEG 3350, 50 mM Ches, 200 mM magnesium formate dihydrate, pH 8.8, vapor diffusion, temperature 293K |
