4Z2P

Crystal structure of short hoefavidin-hoef-peptide(L9F) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	61.228, 61.228, 166.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.480 - 1.600
R-factor	0.17349
Rwork	0.172
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z27
RMSD bond length	0.013
RMSD bond angle	1.518
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.020	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.032	0.587
Number of reflections	42843
<I/σ(I)>	26.6
Completeness [%]	97.0
Redundancy	5.1
CC(1/2)	0.995	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M NaCl, 0.1 M Bis-Tris pH 6.2-7.0 and 1.1-1.5 M ammonium sulfate