6O2K

Drosophila melanogaster CENP-C cupin domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	105
Detector technology	CCD
Collection date	2018-08-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	51.930, 61.720, 87.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.860 - 1.810
R-factor	0.1983
Rwork	0.196
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.902
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.860	2.700	1.860
High resolution limit [Å]	1.810	2.630	1.810
Rpim	0.020	0.502	0.257
Number of reflections	26385	1076	1924
<I/σ(I)>	21.6
Completeness [%]	99.6
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	Purified native D. Melanogaster CENPC 1244 to 1411 protein was mixed with 0.2 M NaCl, 0.1 M MES (pH 6.0), 15 % v/v Pentaerythritol propoxylate (5/4 PO/OH) in a 1:1 ratio (v/v). SeMet substituted crystals were grown in the same condition by providing native crystals as microseeds
2	VAPOR DIFFUSION, HANGING DROP		298.15	D. melanogaster CENP-C 1190-1411 crystals were grown by mixing purified proteins 0.1 M MOPS (pH 7.0) and 12% (w/v) PEG 4000 in a 1:1 ratio (v/v)