7EEZ

crystal structure of maize SHH2 SAWADEE domain

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	2015-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 41 21 2
Unit cell lengths	47.262, 47.262, 137.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.953 - 1.902
R-factor	0.2215
Rwork	0.221
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iur
RMSD bond length	0.004
RMSD bond angle	0.775
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.079	0.045	0.720
Rmeas	0.082	0.046	0.744
Rpim	0.021	0.012	0.185
Total number of observations	201808
Number of reflections	13044	1474	1275
<I/σ(I)>	8.8
Completeness [%]	99.9	99.5	100
Redundancy	15.5	13.8	15
CC(1/2)		0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris, pH 6.5, 30% PEG 300