5IXL
Structure of P. vulgaris HigB toxin Y91A variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-15 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.340, 64.030, 94.080 |
| Unit cell angles | 90.00, 98.14, 90.00 |
Refinement procedure
| Resolution | 37.004 - 1.550 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4px8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.333 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.600 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 87109 | |
| <I/σ(I)> | 12 | 2.4 |
| Completeness [%] | 85.7 | 89.9 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 40% (w/v) polyethylene glycol monomethylether 2,000 and 0.15 M KBr |
