8FUM
AibH1H2 metalated with Fe in the presence of Tris
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 | 2021-07-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 82.590, 232.640, 147.636 |
| Unit cell angles | 90.00, 92.77, 90.00 |
Refinement procedure
| Resolution | 45.580 - 1.480 |
| R-factor | 0.159 |
| Rwork | 0.159 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m2i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.041 |
| 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] | 45.580 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 430996 | 42533 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 93.7 | 92.58 |
| Redundancy | 2.8 | 2.6 |
| CC(1/2) | 0.996 | 0.355 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 298 | 0.16 M MgCl2, 0.08 M Tris-HCl, 20% PEG4000, 50 mM AIB |
