27XP
Crystal structure of monoalkyl phthalate hydrolase from Rhodococcus sp. EG-5 n complex with Paranitrophenyl butyrate (PNPB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-09-24 |
| 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 | 24.292 - 2.800 |
| Rwork | 0.272 |
| R-free | 0.29370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.383 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.292 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 101792 | 10063 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 9.8 | |
| CC(1/2) | 0.968 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.1M Sodium Malonate pH 7.4 20% PEG 3350 |
