3QDE

The structure of Cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-19
Detector	MARmosaic 300
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	83.262, 122.062, 181.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.326 - 2.400
R-factor	0.1536
Rwork	0.151
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.933
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.460
High resolution limit [Å]	2.400	5.920	2.400
Rmerge	0.127	0.068	0.420
Number of reflections	73974
<I/σ(I)>	10.5
Completeness [%]	99.5	99.4	97.6
Redundancy	6.2	6.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Protein Solution (5.0 mg/ml protein, 0.05 M NaCl, 0.0003 M NaN3, and 0.005 M HEPES pH 7) mixed in a 1:1 ratio with the Well Solution (0.157 M (NH4)2HPO4, 2.143 M (NH4)H2PO4, and 0.1 M Tris pH 8.0). Cryoprotected with 0.157 M (NH4)2HPO4, 2.143 M (NH4)H2PO4, 5% ethylene glycol, and 0.1 M Tris pH 8.0, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP