8A0C
Capsular polysaccharide synthesis multienzyme in complex with CMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.970, 164.780, 302.567 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.400 - 2.900 |
R-factor | 0.1978 |
Rwork | 0.197 |
R-free | 0.25610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold |
RMSD bond length | 0.002 |
RMSD bond angle | 0.476 |
Data reduction software | xia2.multiplex |
Data scaling software | xia2.multiplex |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 302.570 | 2.430 |
High resolution limit [Å] | 2.390 | 2.390 |
Number of reflections | 75365 | 6517 |
<I/σ(I)> | 3.5 | |
Completeness [%] | 99.9 | |
Redundancy | 19.1 | |
CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.04 M Potassium phosphate monobasic None 16 % w/v PEG 8000 20 % v/v Glycerol 5mM CMP |