7R7B
1.50 Angstroem Crystal Structure of FeoA from Bacteroides fragilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-12-01 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.576, 29.552, 67.430 |
| Unit cell angles | 90.00, 128.88, 90.00 |
Refinement procedure
| Resolution | 36.030 - 1.500 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2k5l |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.053 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.160 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 23079 | 1138 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.992 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M di-potassium phosphate, 2.2 M ammonium sulfate |
