4EIQ

Chromopyrrolic acid-soaked RebC-10x with bound 7-carboxy-K252c

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]	100
Detector technology	CCD
Collection date	2009-12-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	63.184, 77.703, 123.145
Unit cell angles	90.00, 98.78, 90.00

Refinement procedure

Resolution	47.300 - 2.760
Rwork	0.206
R-free	0.25510
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	2.790
High resolution limit [Å]	2.760	2.760
Number of reflections	28820
Completeness [%]	94.4	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM ammonium fluoride and 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K