8I55

Wild-type CfbA at 1.99 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.00
Spacegroup name	P 41
Unit cell lengths	67.720, 67.720, 82.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.890 - 1.990
R-factor	0.1814
Rwork	0.180
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.488
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	1.990	10.000	1.990
Rmerge	0.082	0.080	0.999
Rmeas	0.086	0.085	1.064
Number of reflections	25589	215	3488
<I/σ(I)>	14.87
Completeness [%]	100.0
Redundancy	9.44
CC(1/2)	0.998	0.991	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	0.3M Na-malonate, 0.1M Tris-HCl, 8% (w/v) Gamma-PGA