9P4U

Nucleotide Binding Domain (residues 475-720) of ABC3 transporter permease from Clostridioides difficile strain 630

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97895
Spacegroup name	P 21 21 21
Unit cell lengths	30.352, 79.828, 88.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.620 - 2.000
R-factor	0.199
Rwork	0.197
R-free	0.24370
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.535
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.181
Rmeas	0.193
Rpim	0.067	0.341
Number of reflections	15239	761
<I/σ(I)>	10.7	2
Completeness [%]	99.8	100
Redundancy	8	8.1
CC(1/2)	0.993	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	Protein: 7.6mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: PACT (B10), 0.2M Magnesium chloride, 0.1M MES (pH 6.0), 20% (w/v) PEG6000 Cryo: drop conditions