3WIN
Clostridium botulinum Hemagglutinin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-11 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 324.726, 324.726, 117.588 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.430 - 3.500 |
| R-factor | 0.2025 |
| Rwork | 0.200 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e4m |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.648 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.630 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.054 | 0.494 |
| Number of reflections | 45595 | |
| Completeness [%] | 98.3 | 98.4 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.25M ammonium chloride, 3%(w/v) polyethylene glycol 4000, 3% trehalose, 3%(w/v) benzamidine HCl, 3%(w/v) methylpentanediol, 3%(w/v) ethylene glycol, 0.1M calcium chloride, 0.1M Tris-HCl , pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
