7D8J

S. aureus SsbB with 5-FU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	298
Detector technology	CCD
Collection date	2020-08-01
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 64 2 2
Unit cell lengths	116.366, 116.366, 78.538
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.341 - 2.880
R-factor	0.1967
Rwork	0.194
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yyu
Data scaling software	HKL-2000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.970
High resolution limit [Å]	2.870	2.870
Rmerge	0.078	0.552
Number of reflections	7408	724
<I/σ(I)>	42.16	9.05
Completeness [%]	98.6
Redundancy	13.5
CC(1/2)		0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.6M Ammonium Sulfate, 500mM Lithium Chloride