9WN2

Crystal structure of W27 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	126.938, 68.036, 62.795
Unit cell angles	90.00, 108.23, 90.00

Refinement procedure

Resolution	45.690 - 1.800
R-factor	0.1859
Rwork	0.185
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i9i 2fbj 1wej
RMSD bond length	0.004
RMSD bond angle	0.691
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.694	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.047	0.668
Number of reflections	46649	7378
<I/σ(I)>	24.12	3.12
Completeness [%]	98.3	96.9
Redundancy	6.9	6.9
CC(1/2)	1.000	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.17 M Ammonium sulfate, 25.5% PEG4000 15.5% Glycerol