8G28

Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 61 2 2
Unit cell lengths	71.532, 71.532, 151.435
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.180 - 1.300
R-factor	0.1213
Rwork	0.120
R-free	0.14300
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	1.323
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.082	1.512
Rmeas	0.084
Rpim	0.017	0.331
Number of reflections	57219	2800
<I/σ(I)>	42.8	2.4
Completeness [%]	99.9	100
Redundancy	24.4	21.1
CC(1/2)	0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein: 5.6 mg/ml, 0.25M Sodium chloride, 0.01M Tris pH 8.3; Screen: Classics II (F12), 0.2M Sodium chloride, 0.1M HEPES pH 7.5, 25% (w/v) PEG3350.