8CSE
WbbB in complex with alpha-Rha-(1-3)-beta-GlcNAc acceptor
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 | 2019-02-23 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97950 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.380, 158.020, 117.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.760 - 2.300 |
R-factor | 0.1702 |
Rwork | 0.167 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fa1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.105 |
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] | 37.760 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rpim | 0.820 | |
Number of reflections | 38441 | 2366 |
<I/σ(I)> | 16 | |
Completeness [%] | 99.7 | |
Redundancy | 6.2 | |
CC(1/2) | 0.792 |
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 5 mM CMP, 5mM acceptor |