5XG0
Crystal structure of a novel PET hydrolase from Ideonella sakaiensis 201-F6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-29 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.480, 69.216, 153.041 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.580 |
| R-factor | 0.1384 |
| Rwork | 0.137 |
| R-free | 0.16160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wfi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.507 |
| Data reduction software | HKL |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.039 | 0.076 |
| Rmeas | 0.043 | 0.084 |
| Rpim | 0.018 | 0.036 |
| Total number of observations | 499698 | |
| Number of reflections | 92787 | 9169 |
| <I/σ(I)> | 32.2 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | Polyethylene Glycol 6000, Glycerol, MES |
