5E1M

Crystal structure of NTMT1 in complex with 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	2015-06-22
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	107.406, 107.406, 205.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.680 - 1.750
R-factor	0.1621
Rwork	0.161
R-free	0.18820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	isomorphous crystal structure of same protein.
RMSD bond length	0.017
RMSD bond angle	1.758
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.680	29.680	1.780
High resolution limit [Å]	1.750	9.090	1.750
Rmerge	0.108	0.031	0.942
Rmeas	0.111	0.032	0.966
Rpim	0.024	0.008	0.210
Total number of observations	1466692	9256	78475
Number of reflections	71201
<I/σ(I)>	27	82.7	4.3
Completeness [%]	100.0	97.2	99.9
Redundancy	20.6	15	20.4
CC(1/2)	0.999	1.000	0.910

Crystallization Conditions

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