9BBA
Structure of S1_8C, a lambda-carrageenan specific sulfatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 156.897, 54.565, 159.287 |
| Unit cell angles | 90.00, 113.77, 90.00 |
Refinement procedure
| Resolution | 29.155 - 2.201 |
| R-factor | 0.1899 |
| Rwork | 0.187 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.088 | 0.292 |
| Rpim | 0.043 | 0.231 |
| Number of reflections | 123433 | 5100 |
| <I/σ(I)> | 13.5 | 2.6 |
| Completeness [%] | 98.0 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.995 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 22% PEG 3350, 0.15 M sodium nitrate, 5% glycerol |
