3KNQ

Beta Turn Optimization of the Gene-3-Protein of Filamentous Phage Fd

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	56.513, 86.974, 96.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.770 - 2.130
Rwork	0.214
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dgs.PDB
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.770	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.100	0.490
Number of reflections	26294
<I/σ(I)>	13.4	47
Completeness [%]	96.4	76.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	288	15-20% PEG3350, 0.2M NH4Cl, 0.05 M CaCl2, 0.1 M Tris/Cl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K