7PVO
Adenylosuccinate Synthetase from H. pylori in complex with IMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION SUPERNOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-06-16 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 69.105, 61.326, 119.636 |
| Unit cell angles | 90.00, 98.42, 90.00 |
Refinement procedure
| Resolution | 23.450 - 2.000 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m9d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.885 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.510 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.053 | |
| Rmeas | 0.055 | |
| Rpim | 0.015 | |
| Number of reflections | 33613 | 2477 |
| <I/σ(I)> | 38.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.6 | 9.3 |
| CC(1/2) | 1.000 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.35 | 294 | PEG 3350, ammonium sulphate, Bis-Tris Propane |
