3GED

Fingerprint and Structural Analysis of a Apo SCOR enzyme from Clostridium thermocellum

Replaces:  3DII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-01
Detector	ADSC Q315
Wavelength(s)	0.979454
Spacegroup name	I 41 2 2
Unit cell lengths	124.287, 124.287, 162.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.684 - 1.698
R-factor	0.18
Rwork	0.179
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1YDE 1vl8
RMSD bond length	0.011
RMSD bond angle	1.327
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.015	1.740
High resolution limit [Å]	1.416	1.690
Rmerge	0.064
Number of reflections	68407
<I/σ(I)>	18.9
Completeness [%]	97.7
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			298	25% (w/v) PEG 4000,100mM TAPs pH 9.0, 50mM sodium thiosulfate pentahydrate 1:1 cocktail to protein ratio (10mg/ml), hanging drop vapor diffusion, temperature 298K