6CKN

Crystal structure of an AF10 fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	40.058, 40.058, 205.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.320 - 2.490
R-factor	0.249
Rwork	0.247
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.110	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.087	1.272
Rmeas	0.091	1.322
Rpim	0.025	0.354
Total number of observations	85873
Number of reflections	6558	696
<I/σ(I)>	20.6
Completeness [%]	99.9	99.8
Redundancy	13.1	13.7
CC(1/2)	0.999	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	This crystal's crystallization record is incomplete. We attempted to reconstruct the condition through reference to records from related crystals: 20% PEG-3350, 0.2 M magnesium nitrate. Additive: 1,6-hexanediol