4DRW

Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 1
Unit cell lengths	47.755, 47.791, 62.817
Unit cell angles	71.62, 71.63, 68.62

Refinement procedure

Resolution	43.340 - 3.500
R-factor	0.322
Rwork	0.296
R-free	0.32700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bt6
RMSD bond length	0.014
RMSD bond angle	1.165
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.340	3.320
High resolution limit [Å]	3.260	3.260
Number of reflections	7306
Completeness [%]	98.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100mM sodium chloride, 200mM magnesium chloride, 50mM sodium cacodylate, 20% PEG 1000, 0.15mM CYMAL-7, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K