4I9O

Crystal Structure of GACKIX L664C Tethered to 1-10

Experimental procedure

Experimental method	SAD
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	2012-06-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97852
Spacegroup name	P 43 21 2
Unit cell lengths	48.330, 48.330, 85.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.070 - 2.000
R-factor	0.2076
Rwork	0.206
R-free	0.23290
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.870
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.067	0.061	0.233
Number of reflections	7383
<I/σ(I)>	15.7
Completeness [%]	100.0	99.8	100
Redundancy	20.8	16.5	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.8 M (NH4)2SO4, 0.1 M Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K