9WTK
Crystal structure of monoalkyl phthalate hydrolase in complex with MBP from Rhodococcus sp. EG-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-19 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 176.313, 244.890, 192.097 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.290 - 2.800 |
| R-factor | 0.2584 |
| Rwork | 0.257 |
| R-free | 0.28640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.562 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.740 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 101798 | 4996 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 9.9 | |
| CC(1/2) | 0.972 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium sulfate heptahydrate, 20% w/v PEG 3350, pH 6.0 |
