8I37
Helicobacter pylori G6PDH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-29 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 153.871, 153.871, 250.535 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.080 - 2.750 |
| R-factor | 0.2198 |
| Rwork | 0.219 |
| R-free | 0.25380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.148 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.083 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.136 | |
| Number of reflections | 89655 | 4523 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 100.0 | |
| Redundancy | 9.7 | |
| CC(1/2) | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate |
