4PIA
Crystal structure of S. Aureus Autolysin E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-10-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.599, 69.927, 73.268 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.000 - 1.466 |
| R-factor | 0.1503 |
| Rwork | 0.149 |
| R-free | 0.17150 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.809 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 23.000 | 23.000 | 1.490 |
| High resolution limit [Å] | 1.460 | 3.960 | 1.460 |
| Rmerge | 0.043 | 0.031 | 0.291 |
| Total number of observations | 229537 | ||
| Number of reflections | 41563 | ||
| <I/σ(I)> | 39.2 | ||
| Completeness [%] | 99.3 | 100 | 95.97 |
| Redundancy | 5.5 | 5.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2 M (NH4)2SO4, 2 M NaCl |
