3W92

Crystal Structure Analysis of the synthetic GCN4 Thioester coiled coil peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.972
Spacegroup name	P 21 21 21
Unit cell lengths	31.760, 33.552, 94.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.500 - 1.350
R-factor	0.1653
Rwork	0.164
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ij2 1ij3
RMSD bond length	0.026
RMSD bond angle	2.582
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	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmerge	0.082	0.042	0.876
Number of reflections	22947
<I/σ(I)>	10.5
Completeness [%]	99.8	97.1	99
Redundancy	24.8	22.1	20.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.2M Sodium Acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K