6ANE
Crystal Structure of Ideonella sakaiensis PET Hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2017-08-05 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.868, 233.852, 165.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 116.930 - 2.020 |
| R-factor | 0.17923 |
| Rwork | 0.177 |
| R-free | 0.21664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cg1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.508 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 116.930 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.104 | 0.653 |
| Number of reflections | 67721 | 3054 |
| <I/σ(I)> | 9.83 | 2 |
| Completeness [%] | 95.9 | 92.4 |
| Redundancy | 6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1 M MES pH 6.5 1.6 M MgSO4 20% Glycerol |
