1NAA

Cellobiose Dehydrogenase Flavoprotein Fragment in Complex with Cellobionolactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.977
Spacegroup name	H 3
Unit cell lengths	185.952, 185.952, 81.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.146
Rwork	0.146
R-free	0.18500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1kdg
RMSD bond length	0.022
RMSD bond angle	1.920
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.089	0.498
Total number of observations	376799 *
Number of reflections	95043
<I/σ(I)>	6.7	1.5
Completeness [%]	97.6	85.4
Redundancy	4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	15 *	Hallberg, B.M., (2002) J.Mol.Biol., 315, 421. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2 (mg/ml)
2	1	reservoir	ammonium sulfate	1.6 (M)
3	1	reservoir	dioxane	10 (%(v/v))
4	1	reservoir	MES	100 (mM)	pH6.5