8W7T
Fe-O nanocluster of form-VII 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 | 2023-05-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.55 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 179.789, 179.789, 179.789 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.947 - 2.499 |
R-factor | 0.162 |
Rwork | 0.155 |
R-free | 0.21950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.879 |
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 | 2.540 |
High resolution limit [Å] | 2.499 | 6.780 | 2.500 |
Rmerge | 0.337 | 0.084 | 1.880 |
Rmeas | 0.340 | 0.085 | 1.902 |
Rpim | 0.040 | 0.011 | 0.288 |
Number of reflections | 16288 | 547 | 450 |
<I/σ(I)> | 1.7 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 69.3 | 57.4 | 42.6 |
CC(1/2) | 0.996 | 0.999 | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | Bicine, MgCl2 |