8CSC
WbbB D232N-Kdo adduct
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 | 2019-07-07 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.600, 158.220, 117.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.960 - 1.900 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fa1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.540 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.960 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 68061 | 5067 |
| <I/σ(I)> | 31.8 | 2.07 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.5 | |
| CC(1/2) | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.1 M sodium malonate, 100 mM HEPES, 0.5 % Jeffamine ED-2001 |
