5E2A

Crystal structure of NTMT1 in complex with N-terminally methylated SPKRIA peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-08
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	107.160, 107.160, 205.589
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.600 - 1.750
R-factor	0.1581
Rwork	0.157
R-free	0.18400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pdbid 2ex4
RMSD bond length	0.016
RMSD bond angle	1.761
Data reduction software	XDS
Data scaling software	Aimless (0.5.12)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.620	29.620	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.125	0.024	1.139
Rmeas	0.129	0.024	1.169
Rpim	0.028	0.006	0.261
Total number of observations	1473712	9987	75685
Number of reflections	70896
<I/σ(I)>	27.6	108.9	3.5
Completeness [%]	100.0	97.2	99.9
Redundancy	20.8	16.3	19.8
CC(1/2)	0.999	1.000	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	26% PEG3350, 16% tacsimate