9F31

Crystal structure of MELK with a covalent compound GCL 99

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	I 41 3 2
Unit cell lengths	168.734, 168.734, 168.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.000
R-factor	0.19067
Rwork	0.189
R-free	0.23278
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	27915	2017
<I/σ(I)>	29.7	2.2
Completeness [%]	100.0
Redundancy	81.4
CC(1/2)	1.000	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	14% PEG 3350--10% ethylene glycol--0.2M potassium thiocyanate--0.1M bis-tris propane pH 7.1