7EF3

crystal structure of maize SHH2 SAWADEE domain in complex with H3K9me2 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	2015-11-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	64.906, 67.370, 80.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.130 - 2.100
R-factor	0.2213
Rwork	0.219
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eez
RMSD bond length	0.002
RMSD bond angle	0.639
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.104	0.062	0.760
Rmeas	0.116	0.069	0.850
Rpim	0.050	0.030	0.374
Total number of observations	111652
Number of reflections	21207	2256	2090
<I/σ(I)>	5.1
Completeness [%]	99.7	98.8	99.5
Redundancy	5.3	5	4.9
CC(1/2)		0.994	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES, pH7.5, 70% MPD