9BTS
Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-22 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 2 3 |
Unit cell lengths | 173.028, 173.028, 173.028 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.720 - 1.850 |
R-factor | 0.1677 |
Rwork | 0.166 |
R-free | 0.19890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.891 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_5057) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.950 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.104 | 2.421 |
Rmeas | 0.106 | 2.461 |
Rpim | 0.019 | 0.439 |
Total number of observations | 4450501 | 227173 |
Number of reflections | 146272 | 7236 |
<I/σ(I)> | 24.6 | 1.9 |
Completeness [%] | 100.0 | |
Redundancy | 30.4 | 31.4 |
CC(1/2) | 1.000 | 0.716 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Berkeley Screen E5: 1.2 M ammonium sulfate, 100 mM bis-tris pH 6.5, Bfr/Ftn at 12.5 mg/mL. Plate 12825 well E5 drop 1. Puck: PSL-0201, Cryo: 80% (w/v) crystallant and 20% (v/v) glycerol. |