8H7P
Crystal structure of aqualigase bound with Suc-AAPF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2022-09-20 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.34138 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.578, 71.680, 40.804 |
Unit cell angles | 90.00, 114.74, 90.00 |
Refinement procedure
Resolution | 37.060 - 1.820 |
R-factor | 0.138 |
Rwork | 0.135 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1to1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.575 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.060 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 17217 | 806 |
<I/σ(I)> | 20.8 | |
Completeness [%] | 97.3 | |
Redundancy | 4.8 | |
CC(1/2) | 0.997 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 25% isopropanol, 28% PEG 3350, 0.1 M Tris pH 8.5 |