8RRZ

Crystal structure of SYK kinase in complex with compound 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-03
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	40.085, 84.859, 40.845
Unit cell angles	90.00, 99.33, 90.00

Refinement procedure

Resolution	39.586 - 1.750
Rwork	0.180
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.770
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.430	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.025	0.320
Rmeas	0.034	0.453
Rpim	0.025	0.320
Number of reflections	26808	1460
<I/σ(I)>	17.7
Completeness [%]	98.6	99.4
Redundancy	2	2
CC(1/2)	0.999	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	20% PEG 3350, 0.1 M bis tris propane pH 6.5, 0.2 M Na formate