4PI8
Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.011, 69.720, 73.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.400 - 1.390 |
| R-factor | 0.1532 |
| Rwork | 0.152 |
| R-free | 0.17550 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.902 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.400 | 1.440 | |
| High resolution limit [Å] | 1.390 | 4.150 | 1.390 |
| Rmerge | 0.034 | 0.017 | 0.593 |
| Rmeas | 0.038 | 0.020 | 0.567 |
| Total number of observations | 312334 | ||
| Number of reflections | 48332 | 3426 | 14768 |
| <I/σ(I)> | 26.9 | 62.44 | 3 |
| Completeness [%] | 99.5 | 99.2 | 99.69 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2 M (NH4)2SO4, 2 M NaCl |
