3G4N
Crystal structure of the activated aerolysin mutant H132D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95360 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.723, 70.211, 165.446 |
| Unit cell angles | 90.00, 109.11, 90.00 |
Refinement procedure
| Resolution | 55.902 - 2.100 |
| R-factor | 0.2162 |
| Rwork | 0.214 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pre |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.035 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.927 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.088 | 0.405 |
| Number of reflections | 59799 | |
| <I/σ(I)> | 27.43 | 4.86 |
| Completeness [%] | 98.6 | 97.8 |
| Redundancy | 21.2 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 291 | PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH) 17%-19%, SODIUM ACETATE 50mM pH 5.4 , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
