5NZ8

Clostridium thermocellum cellodextrin phosphorylase with cellotetraose and phosphate bound

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	84.810, 152.970, 92.220
Unit cell angles	90.00, 114.42, 90.00

Refinement procedure

Resolution	27.620 - 3.000
R-factor	0.2128
Rwork	0.210
R-free	0.26230
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5nz7
RMSD bond length	0.008
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	REFMAC (5)
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.620	27.620	3.080
High resolution limit [Å]	3.000	13.420	3.000
Rmerge	0.065	0.021	1.086
Rmeas	0.077	0.025	1.291
Rpim	0.041	0.014	0.692
Total number of observations	141679
Number of reflections	41938
<I/σ(I)>	12.8
Completeness [%]	98.0	80	94.8
Redundancy	3.4	3.2	3.4
CC(1/2)	0.999	0.999	0.425

Crystallization Conditions

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