6BHC

Crystal structure of pseduokinase PEAK1 (Sugen Kinase 269)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	273
Detector technology	PIXEL
Collection date	2017-07-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	58.923, 72.724, 103.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.081 - 2.300
R-factor	0.1958
Rwork	0.194
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wqm
RMSD bond length	0.002
RMSD bond angle	0.418
Data reduction software	HKL-2000 (v712)
Data scaling software	HKL-2000 (v712)
Phasing software	BALBES (ccp4 online)
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmeas	0.228
Rpim	0.087	0.443
Number of reflections	20320	1919
<I/σ(I)>	10.1	1.9
Completeness [%]	98.7	99.1
Redundancy	6.6	6.4
CC(1/2)		0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	294	100 mM N-(2-Acetamido) iminodiacetic acid (ADA) pH 6.8, 11 % (v/v) PEG 3350