8PXG
Structure of Streptactin, solved at wavelength 2.75 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I23 |
Synchrotron site | Diamond |
Beamline | I23 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-09-06 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 2.7552 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.420, 57.420, 172.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.470 - 1.800 |
R-factor | 0.17462 |
Rwork | 0.174 |
R-free | 0.19375 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | HKL2Map |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.470 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.092 | 0.993 |
Rmeas | 0.092 | |
Rpim | 0.013 | |
Number of reflections | 13199 | 1190 |
<I/σ(I)> | 35.1 | 3.29 |
Completeness [%] | 95.3 | |
Redundancy | 45.6 | |
CC(1/2) | 1.000 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3 M sodium chloride, 0.1 citric acid, pH 3.5 |