4IDJ
S.Aureus a-hemolysin monomer in complex with Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 130.188, 130.188, 308.336 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.360 |
| R-factor | 0.2515 |
| Rwork | 0.249 |
| R-free | 0.29640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.156 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.470 |
| High resolution limit [Å] | 3.350 | 7.210 | 3.350 |
| Rmerge | 0.152 | 0.044 | 0.554 |
| Number of reflections | 22137 | ||
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 96.3 | 95.1 | 91.3 |
| Redundancy | 6.2 | 5.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 298 | 1.7M AmSO4, 4.25% isopropanol, 15% glycerol, pH 6, VAPOR DIFFUSION, temperature 298K |
