5NZ7

Clostridium thermocellum cellodextrin phosphorylase ligand free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	84.640, 151.810, 91.970
Unit cell angles	90.00, 114.60, 90.00

Refinement procedure

Resolution	47.650 - 2.300
R-factor	0.1922
Rwork	0.191
R-free	0.22270
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	1.177
Data reduction software	XDS
Data scaling software	Aimless (0.1.16)
Phasing software	PHENIX
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.600	50.600	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.093	0.039	0.857
Rmeas	0.103	0.043	1.016
Rpim	0.042	0.018	0.539
Total number of observations	522852
Number of reflections	93120
<I/σ(I)>	14.3
Completeness [%]	99.6	98	97.3
Redundancy	5.6	5.9	3.4
CC(1/2)	0.997	0.997	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	NULL