6GZD

Crystal structure of Human CSNK1A1 with A86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100.5
Detector technology	PIXEL
Collection date	2017-06-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	I 41
Unit cell lengths	113.383, 113.383, 80.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.310 - 2.280
R-factor	0.17709
Rwork	0.175
R-free	0.22117
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fqd
RMSD bond length	0.008
RMSD bond angle	1.182
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.310	2.400
High resolution limit [Å]	2.280	2.280
Rmeas	0.070	0.560
Number of reflections	22991	3359
<I/σ(I)>	13.3
Completeness [%]	98.1
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277.15	CSNK1A1 at a concentration of 5.8 mg/ml (50 mM Tris-HCl, 300 mM NaCl, 0.25 mM TCEP, pH 8.0) was pre-incubated with 0.7 mM (4.7-fold molar excess) of Mg2+-ATP (120 mM in UPW) for 1 h. 0.1 uL of the protein solution was then mixed with 0.1 uL of reservoir solution (0.10 M MES/NaOH pH 6.8, 10.0% 2-propanol, 26.0% PEG400) and equilibrated at 4 C over 0.06mL of reservoir solution. Well diffracting crystals appeared within 4 days and grew to full size over 23 days.