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