9SF6

Amuc0953 N-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8
Spacegroup name	P 1 21 1
Unit cell lengths	100.440, 59.150, 111.120
Unit cell angles	90.00, 95.11, 90.00

Refinement procedure

Resolution	55.340 - 2.000
Rwork	0.192
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.555
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.340	55.340	2.040
High resolution limit [Å]	2.000	10.770	2.000
Rmerge	0.193	0.061	2.063
Rmeas	0.229	0.073	2.433
Rpim	0.121	0.039	1.280
Number of reflections	88190	612	4512
<I/σ(I)>	6.6	18.8	1.2
Completeness [%]	99.9	98	99.9
Redundancy	6.9	5.7	7
CC(1/2)	0.994	0.992	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20 % PEG 3350, 0.2 M NaI 25 mg/ml protein