9PT7
Structure of a P-loop mutant PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,2,5,6)-tetrakisphosphate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-23 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.955, 137.370, 80.206 |
| Unit cell angles | 90.00, 102.70, 90.00 |
Refinement procedure
| Resolution | 21.990 - 1.900 |
| R-factor | 0.1577 |
| Rwork | 0.157 |
| R-free | 0.19430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.769 |
| Data reduction software | CrysalisPro (41.119a) |
| Data scaling software | CrysalisPro (41.119a) |
| Phasing software | MOLREP (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.990 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.082 | 0.270 |
| Number of reflections | 75309 | 7539 |
| <I/σ(I)> | 16.6 | 2.38 |
| Completeness [%] | 98.8 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | PEG 8000, ethylene glycol, sodium acetate |
