4PWY

Crystal structure of a Calmodulin-lysine N-methyltransferase fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-01-10
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	80.935, 80.935, 121.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.900
R-factor	0.1614
Rwork	0.160
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FFAS03/SCWRL-modified models of PDB entries 4lec 3bzb 4lg1 4mtl
RMSD bond length	0.016
RMSD bond angle	1.518
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.107	0.030	0.939
Number of reflections	32722
<I/σ(I)>	9
Completeness [%]	100.0	99.2	100
Redundancy	13.9	12.7	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	291	2.0 M malonate, pH 6.7, vapor diffusion, temperature 291K