8CSD
WbbB D232C Kdo adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-30 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.010, 156.730, 118.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.490 - 1.950 |
| R-factor | 0.1636 |
| Rwork | 0.162 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fa1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.032 |
| 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] | 47.500 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 62946 | 4594 |
| <I/σ(I)> | 13.8 | 2.05 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 200 mM ammonium sulfate, 100 mM Bis-Tris, 25% (w/v) PEG 3350 |
