8FUO
Fe-bound AibH1H2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.738 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 84.780, 150.570, 234.719 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.740 - 2.430 |
| R-factor | 0.1907 |
| Rwork | 0.188 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m2i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.008 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.740 | 2.520 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Number of reflections | 55039 | 5260 |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 96.7 | 93.9 |
| Redundancy | 11.8 | 10.3 |
| CC(1/2) | 0.999 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 298 | 0.16M MgCl2, 0.08M Tris-HCl, 20% PEG4000 |
