4JES
1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form)
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 | 2012-02-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 63 |
| Unit cell lengths | 75.071, 75.071, 129.255 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.535 - 1.600 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.19010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jer |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.046 |
| 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] | 65.013 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.076 | 0.013 |
| Number of reflections | 54313 | |
| <I/σ(I)> | 18.2 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.2 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 1.1 M sodium malonate, 0.1 HEPES, 0.5% (v/v) Jeffamine ED-2001, pH 7.0, vapor diffusion, temperature 293K |
