8CSF
WbbB D232C-Kdo adduct + alpha-Rha(1,3)GlcNAc ternary complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-06 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.500, 158.070, 116.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.780 - 2.400 |
| R-factor | 0.1748 |
| Rwork | 0.172 |
| R-free | 0.22130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fa1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.969 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 33794 | 3850 |
| <I/σ(I)> | 16.74 | 2.11 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | |
| CC(1/2) | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.1 M sodium malonate, 100 mM HEPES, and 0.5 % Jeffamine ED-2001 |
