5E1D

NTMT1 in complex with YPKRIA 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	2015-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 65 2 2
Unit cell lengths	107.082, 107.082, 205.946
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.610 - 1.450
R-factor	0.1541
Rwork	0.154
R-free	0.16880
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	isomorphous crystal structure of same protein
RMSD bond length	0.017
RMSD bond angle	1.825
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]	29.610	29.610	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.095	0.038	1.249
Rmeas	0.097	0.040	1.278
Rpim	0.021	0.010	0.268
Total number of observations	2648646	13746	129181
Number of reflections	122141
<I/σ(I)>	25.1	69.3	3.1
Completeness [%]	99.3	92.7	98.3
Redundancy	21.7	16.5	22
CC(1/2)	1.000	0.999	0.838

Crystallization Conditions

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