9CDV

Crystal Structure of Rhombotarget A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-16
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.72931
Spacegroup name	P 1 21 1
Unit cell lengths	57.156, 106.477, 71.305
Unit cell angles	90.00, 107.04, 90.00

Refinement procedure

Resolution	30.710 - 2.000
R-factor	0.1973
Rwork	0.195
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_5288)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.100	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.208	1.610
Rpim	0.092	0.720
Number of reflections	55105	4079
<I/σ(I)>	6.2	1.1
Completeness [%]	100.0	100
Redundancy	7
CC(1/2)	0.994	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis-Tris pH 6.5 and 20 % (v/v) PEG 5000 MME