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 |