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 |