4ARL
Structure of the inactive pesticin D207A 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 2 21 21 |
Unit cell lengths | 35.323, 92.620, 225.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.430 - 1.999 |
R-factor | 0.1981 |
Rwork | 0.196 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.257 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.000 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.480 |
Number of reflections | 50456 | |
<I/σ(I)> | 15.3 | 2.5 |
Completeness [%] | 97.8 | 91 |
Redundancy | 5.4 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |