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 |
