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 |