4RFQ

Human Methyltransferase-Like 18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	70.150, 70.150, 170.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.630 - 2.400
R-factor	0.1987
Rwork	0.197
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	from isomorphous crystal
RMSD bond length	0.012
RMSD bond angle	1.368
Data reduction software	XDS
Data scaling software	Aimless (0.3.8)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	47.630	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.105	0.010	0.010
Total number of observations		4176	26130
Number of reflections	17502
<I/σ(I)>	14.4	31.6	2.5
Completeness [%]	100.0	99	100
Redundancy	13.5	10.2	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	2.0 M ammonium sulfate, 0.2 M potassium/sodium tartrate, 0.1 M sodium citrate, 0.005 M taurine, 0.005 M SAM, pH 5.6, vapor diffusion, temperature 293K