3UZP

crystal structure of ck1d with PF670462 from P21 crystal form

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
Collection date	2011-08-01
Detector	RAYONIX MX-225
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	49.000, 72.800, 88.990
Unit cell angles	90.00, 103.21, 90.00

Refinement procedure

Resolution	50.000 - 1.940
Rwork	0.222
R-free	0.23700
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	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.062	0.596
Number of reflections	44834
Completeness [%]	98.0	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	100 mM Citrate, 1.0 M LiCl, 22.5-35% PEG6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.0