7CF7

Crystal Structure of YbeA CP74 W72F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-08
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 1
Unit cell lengths	37.628, 38.698, 52.325
Unit cell angles	75.29, 73.80, 76.47

Refinement procedure

Resolution	23.608 - 1.618
R-factor	0.1904
Rwork	0.189
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zyo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.680
High resolution limit [Å]	1.618	3.490	1.620
Rmerge	0.055	0.025	0.385
Rmeas	0.069	0.035	0.489
Rpim	0.042	0.024	0.298
Number of reflections	32081	3219	3144
<I/σ(I)>	17.1
Completeness [%]	93.9	94.3	92.7
Redundancy	2.7	2.2	2.4
CC(1/2)		0.997	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Sodium cacodylate pH 6.5, 25% PEG 4000