1W5L

An anti-parallel to parallel switch.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Collection date	2004-07-06
Spacegroup name	P 41 3 2
Unit cell lengths	78.396, 78.396, 78.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.050 - 2.170
R-factor	0.269
Rwork	0.268
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.302
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.080	0.450
Number of reflections	4747
<I/σ(I)>	14.8	4
Completeness [%]	100.0	98.7
Redundancy	7.39	6.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			HANGING DROP, 1 UL OF 10 MG/ML PEPTIDE IN WATER TO 1 UL OF 2M NACL 10% PEG 6K.