8W7O
Fe-O nanocluster of form-V 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 | 180.504, 180.504, 180.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.126 - 2.399 |
R-factor | 0.1825 |
Rwork | 0.178 |
R-free | 0.21960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.809 |
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 | 2.440 |
High resolution limit [Å] | 2.390 | 6.510 | 2.400 |
Rmerge | 0.247 | 0.076 | 1.407 |
Rmeas | 0.249 | 0.076 | 1.419 |
Rpim | 0.029 | 0.010 | 0.182 |
Number of reflections | 18635 | 613 | 501 |
<I/σ(I)> | 2.5 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 71.1 | 57.9 | 60.3 |
CC(1/2) | 0.998 | 0.999 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | Bicine, MgCl2 |