1U9H

Heterocyclic Peptide Backbone Modification in GCN4-pLI Based Coiled Coils: Replacement of E(22)L(23)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-04-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 43 2 2
Unit cell lengths	45.404, 45.404, 90.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.170 - 2.170
R-factor	0.24857
Rwork	0.247
R-free	0.28418
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.001
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	PHASER
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.170	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.052	0.310
Number of reflections	5435
<I/σ(I)>	7.2	2.4
Completeness [%]	98.9	95.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.16 M magnesium acetate tetrahydrate, 0.08 M sodium cacodylate, pH 6.5, 16% w/v PEG 8000, 20% v/v anhydrous glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 295K