8W7B
Fe-O nanocluster of form-IV in the 4-fold channel of Ureaplasma diversum ferritin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.55 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 179.802, 179.802, 179.802 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.951 - 2.700 |
R-factor | 0.189 |
Rwork | 0.183 |
R-free | 0.24550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.906 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.291 | 0.082 | 1.644 |
Rmeas | 0.293 | 0.083 | 1.656 |
Rpim | 0.034 | 0.011 | 0.190 |
Number of reflections | 12948 | 445 | 357 |
<I/σ(I)> | 1.9 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 71.4 | 56.3 | 74.5 |
CC(1/2) | 0.987 | 0.999 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | Bicine, MgCl2 |