5Y7T
Quaternary complex of AsqJ-Fe3+-2OG-D-cyclopeptin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.471, 118.619, 66.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.262 - 2.050 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.23770 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.159 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 17776 | 17776 |
<I/σ(I)> | 18 | |
Completeness [%] | 94.8 | 95 |
Redundancy | 4 | 4 |
CC(1/2) | 0.889 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | PEG1000, Imidazole, Calcium acetate |