4ARP
Structure of the inactive pesticin E178A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.641, 127.829, 158.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.180 - 2.296 |
| R-factor | 0.2134 |
| Rwork | 0.211 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aqn |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.177 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.000 | 2.430 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.130 | 0.810 |
| Number of reflections | 41466 | |
| <I/σ(I)> | 10.3 | 2.1 |
| Completeness [%] | 99.6 | 97.7 |
| Redundancy | 7.7 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
