8H2X
Structure of Acb2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-16 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 101.866, 101.866, 101.655 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.370 - 2.690 |
R-factor | 0.2499 |
Rwork | 0.249 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold2 model |
RMSD bond length | 0.009 |
RMSD bond angle | 1.590 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.790 |
High resolution limit [Å] | 2.690 | 2.690 |
Number of reflections | 17359 | 1675 |
<I/σ(I)> | 16.6 | |
Completeness [%] | 99.9 | |
Redundancy | 14.1 | |
CC(1/2) | 0.982 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, Sodium bromide |