5E1O

Crystal structure of NTMT1 in complex with RPKRIA peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 65 2 2
Unit cell lengths	107.450, 107.450, 206.388
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.810 - 2.000
R-factor	0.1526
Rwork	0.151
R-free	0.18880
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	isomorphous crystal structure of same protein
RMSD bond length	0.019
RMSD bond angle	1.823
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]	84.830	84.830	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.171	0.046	0.880
Rmeas	0.175	0.048	0.901
Rpim	0.037	0.011	0.189
Total number of observations	1038174	11293	76384
Number of reflections	48256
<I/σ(I)>	23	62.1	5
Completeness [%]	99.9	99.5	99.7
Redundancy	21.5	16.9	22.1
CC(1/2)	0.999	0.999	0.939

Crystallization Conditions

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