7EF2

Crystal structure of maize SHH2 SAWADEE domain in complex with an H3K9me3 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	2015-10-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	65.092, 68.254, 80.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.669 - 2.000
R-factor	0.2162
Rwork	0.215
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eez
RMSD bond length	0.003
RMSD bond angle	0.733
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.085	0.047	0.519
Rmeas	0.092	0.051	0.565
Rpim	0.035	0.020	0.219
Total number of observations	175521
Number of reflections	25032	2648	2319
<I/σ(I)>	11.7
Completeness [%]	99.0	98	93.5
Redundancy	7	6.4	6.4
CC(1/2)		0.998	0.887

Crystallization Conditions

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