3GEG

Fingerprint and Structural Analysis of a SCOR enzyme with its bound cofactor from Clostridium thermocellum

Replaces:  3DIJ

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	124.272, 124.272, 161.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.937 - 2.102
R-factor	0.169
Rwork	0.167
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ged
RMSD bond length	0.010
RMSD bond angle	1.330
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.078	0.317
Number of reflections	36901
<I/σ(I)>	17.3	5.6
Completeness [%]	99.8	100
Redundancy	11	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop vapor diffusion		298	25% (w/v) PEG 4000,100mM TAPs pH9.0, 50mM sodium thiosulfate pentahydrate 1:1 cocktail to protein ratio (10mg/ml), hanging drop vapor diffusion, temperature 298K