4YNP

ASH1L SET domain S2259M mutant in complex with S-adenosyl methionine (SAM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	59.262, 59.262, 233.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.000 - 2.900
R-factor	0.2645
Rwork	0.262
R-free	0.31940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ynm
RMSD bond length	0.006
RMSD bond angle	0.973
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.088	0.041	0.393
Rmeas	0.094	0.043	0.417
Rpim	0.032	0.014	0.135
Total number of observations	83961
Number of reflections	10910
<I/σ(I)>	8.2
Completeness [%]	96.1	99.1	96
Redundancy	7.7	8.8	7.4
CC(1/2)		0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 3350, 20 mM Tris