10YY

Crystal Structure of the Chaperonin GroEL apical domain from Bordetella pertussis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-31
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 64
Unit cell lengths	145.768, 145.768, 34.858
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.710 - 2.950
R-factor	0.2148
Rwork	0.213
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.788
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5936: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.710	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.177	2.224
Rmeas	0.182	2.278
Rpim	0.041	0.490
Total number of observations	187564	31738
Number of reflections	9287	1477
<I/σ(I)>	15.3	1.9
Completeness [%]	99.9
Redundancy	20.2	21.5
CC(1/2)	0.999	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	JCSG+ D12: 0.04M Potassium phosphate monobasic, 16% PEG 6000. plate 20567 D12 drop 1, Puck: PSL-1601, Cryo: 80% crystallant + 20% glycerol