5E2B

Crystal structure of NTMT1 in complex with N-terminally methylated PPKRIA 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	107.268, 107.268, 205.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.650 - 1.950
R-factor	0.1537
Rwork	0.152
R-free	0.18750
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	isomorphous structure of NTMT1 in complex with different peptide
RMSD bond length	0.017
RMSD bond angle	1.766
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]	29.650	29.650	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.130	0.023	1.180
Rmeas	0.133	0.024	1.208
Rpim	0.028	0.006	0.257
Total number of observations	1366275	9987	78226
Number of reflections	64736
<I/σ(I)>	27.7	114.3	3.6
Completeness [%]	99.2	97.3	98
Redundancy	21.1	16.2	21.1
CC(1/2)	0.999	1.000	0.870

Crystallization Conditions

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