3W93

Crystal Structure Analysis of the synthetic GCN4 Ester coiled coil peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	31.722, 33.881, 95.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.590 - 1.500
R-factor	0.2142
Rwork	0.213
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ij2
RMSD bond length	0.029
RMSD bond angle	2.415
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.053	0.031	0.256
Number of reflections	16746
<I/σ(I)>	14.6
Completeness [%]	97.4	78.1	96.8
Redundancy	3	2.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	54% Tacsimate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K