4IUU

Crystal structure of SHH1 SAWADEE domain in complex with H3K9me1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	54.759, 118.108, 53.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.675 - 2.700
R-factor	0.2059
Rwork	0.203
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iup
RMSD bond length	0.004
RMSD bond angle	0.734
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.087	0.410
Number of reflections	10043
<I/σ(I)>	14.9	2
Completeness [%]	99.5	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2 M NH4F, 20% PEG 3350, 7.6 mM 4-Cyclohexyl-1-Butyl-D-Maltoside , VAPOR DIFFUSION, SITTING DROP, temperature 277K