9WBU
Crystal structure of Mtb cyclic dinucleotide phosphodiesterase by sulfur-modified cyclic dinucleotide analogue
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2025-02-27 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.54179 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 79.010, 149.096, 167.033 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.230 - 2.960 |
| R-factor | 0.22081 |
| Rwork | 0.218 |
| R-free | 0.27017 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.365 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.630 | 3.140 |
| High resolution limit [Å] | 2.960 | 2.960 |
| Rmerge | 1.290 | |
| Rmeas | 0.390 | |
| Rpim | 0.630 | |
| Number of reflections | 20959 | 3344 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 99.9 | 99.86 |
| Redundancy | 5.1 | 5.1 |
| CC(1/2) | 0.965 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 298 | 0.1 M Sodium Acetate Trihydrate pH 4.5, 2M Sodium Formate (30 % Ethylene Glycol) |
