8QSU

Crystal structure of SPOUT1/CENP-32 bound to SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97957
Spacegroup name	C 2 2 21
Unit cell lengths	75.020, 81.170, 135.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.520 - 2.380
R-factor	0.2263
Rwork	0.225
R-free	0.26150
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	xia2
Phasing software	RESOLVE
Refinement software	PHENIX ((dev_4694: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.520	2.530
High resolution limit [Å]	2.380	2.380
Rmerge	0.071	0.698
Rmeas	0.074	0.726
Rpim	0.021	0.198
Number of reflections	16700	2678
<I/σ(I)>	21.2
Completeness [%]	98.5	96.23
Redundancy	12.9
CC(1/2)	0.999	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.06 M MgCl2, CaCl2 or 0.09 M NaF, NaBr, NaI with 0.1 M Imidazole, MES (acid) pH 6.5 and 30 % Ethylene glycol, PEG 8K