7SDD
Structure of the PTP-like myo-inositol phosphatase from Legionella pneumophila str. Paris in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-22 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.581, 63.211, 95.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.840 - 1.850 |
| R-factor | 0.1829 |
| Rwork | 0.181 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tvv |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.746 |
| Data reduction software | CrysalisPro (v40.108a) |
| Data scaling software | CrysalisPro (v40.108a) |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.840 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.093 | 0.344 |
| Number of reflections | 32744 | 3278 |
| <I/σ(I)> | 17.23 | 2.5 |
| Completeness [%] | 99.2 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 100 mM Tris HCl (7.4), 12% PEG 4000, 40 mM magnesium chloride |
