7CCE

crystal structure of Arabidopsis AIPP3 BAH domain in complex with an H3K27me3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	78.599, 78.599, 72.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.849 - 2.404
R-factor	0.2206
Rwork	0.218
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ft2
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.082	0.049	1.121
Rmeas	0.084	0.050	1.152
Rpim	0.020	0.012	0.265
Total number of observations	200614
Number of reflections	10478	588	537
<I/σ(I)>	7.3
Completeness [%]	100.0	100	100
Redundancy	19.1	17.2	18.7
CC(1/2)		0.998	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M HEPES, pH 7.0, and 2.4 M ammonium sulfate