9BES
Structure of S1_8A, a lambda-carrageenan specific sulfatase, in complex with monosaccharide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-13 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.683, 56.202, 97.232 |
| Unit cell angles | 77.44, 76.06, 64.03 |
Refinement procedure
| Resolution | 29.278 - 2.079 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.26320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.179 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.140 |
| High resolution limit [Å] | 2.079 | 2.079 |
| Rmerge | 0.101 | 0.297 |
| Rpim | 0.069 | 0.146 |
| Number of reflections | 51285 | 2331 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 95.0 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.981 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 25% PEG 3350, 5% glycerol, 5% Jeffamine ED-2001 (pH 7.0), 0.1 M arginine, 0.1 M HEPES (pH 7.5) |
