4HNI

crystal structure of ck1e in complex with PF4800567

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX-225
Wavelength(s)	0.9787
Spacegroup name	P 43 21 2
Unit cell lengths	111.108, 111.108, 155.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.740
Rwork	0.237
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.840
High resolution limit [Å]	2.740	2.740
Rmerge	0.146	0.685
Number of reflections	26206
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM Hepes, 3% Ethanol, 1.1-1.6 M (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K