5UBB

Crystal structure of human alpha N-terminal protein methyltransferase 1B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-25
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	45.595, 132.962, 42.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.980 - 2.000
R-factor	0.21
Rwork	0.208
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.980	45.600	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.086	0.019	0.700
Rmeas	0.106	0.023	0.871
Rpim	0.060	0.013	0.506
Total number of observations	44067	453	3103
Number of reflections	16827
<I/σ(I)>	10.2	43.1	1.7
Completeness [%]	94.4	79.6	91.7
Redundancy	2.6	2.5	2.6
CC(1/2)	0.996	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2 M sodium acetate