8QWA
Adenylosuccinate Synthetase from H. pylori in complex with PLP and IMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION SUPERNOVA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-01-18 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54184 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 68.897, 61.124, 119.254 |
Unit cell angles | 90.00, 98.91, 90.00 |
Refinement procedure
Resolution | 29.821 - 1.850 |
Rwork | 0.167 |
R-free | 0.20110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.963 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.821 | 29.800 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.047 | 0.016 | 0.240 |
Rmeas | 0.049 | 0.017 | 0.261 |
Rpim | 0.014 | 0.004 | 0.102 |
Number of reflections | 41958 | 375 | 2580 |
<I/σ(I)> | 48 | ||
Completeness [%] | 100.0 | ||
Redundancy | 23.5 | 23.2 | 12.7 |
CC(1/2) | 1.000 | 1.000 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 8.5 | 285 | 85mM Tris-HCl pH 8,5 21% PEG4k 170 mM Li2SO4 15% GOL |