9NWG

Crystal Structure of the Third Immunoglobulin-Like Domain of Human Muscle-Specific Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.983
Spacegroup name	P 1 21 1
Unit cell lengths	79.151, 49.434, 143.419
Unit cell angles	90.00, 92.10, 90.00

Refinement procedure

Resolution	46.730 - 1.700
R-factor	0.1997
Rwork	0.199
R-free	0.21600
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.730	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.076	1.709
Rpim	0.048	1.129
Number of reflections	122470	6011
<I/σ(I)>	12.5
Completeness [%]	99.9	99.9
Redundancy	6.5	6.3
CC(1/2)	0.998	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M potassium bromide, 0.2 M potassium thiocyanate, 0.1 sodium acetate, 3% v/v PGA, 28% v/v PEG 550 MME