4YPU

ASH1L SET domain K2264L mutant in complex with S-adenosyl methionine (SAM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 32 2 1
Unit cell lengths	59.108, 59.108, 226.043
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.350 - 2.600
R-factor	0.2412
Rwork	0.238
R-free	0.30530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ynm
RMSD bond length	0.013
RMSD bond angle	1.479
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.088	0.059	0.483
Rmeas	0.093	0.064	0.510
Rpim	0.030	0.022	0.160
Total number of observations	135638
Number of reflections	14871
<I/σ(I)>	11.8
Completeness [%]	99.4	99.1	98.2
Redundancy	9.1	8	9
CC(1/2)		0.997	0.935

Crystallization Conditions

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