4YPA

ASH1L SET domain Q2265A 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	2014-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	53.682, 61.773, 73.233
Unit cell angles	91.57, 93.83, 90.46

Refinement procedure

Resolution	73.040 - 2.300
R-factor	0.2517
Rwork	0.249
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ynm
RMSD bond length	0.018
RMSD bond angle	1.644
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	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.060	0.043	0.255
Total number of observations	79637
Number of reflections	40091
<I/σ(I)>	8.1
Completeness [%]	96.0	91.4	97.3
Redundancy	2	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	PEG 4000, magnesium chloride, Tris