4QI5

Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase with bound cellobionolactam, MtDH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-21
Detector	ADSC QUANTUM 315
Spacegroup name	P 63
Unit cell lengths	171.324, 171.324, 73.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.470 - 2.400
R-factor	0.198
Rwork	0.196
R-free	0.24400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	DEHYDROGENASE DOMAIN WITHOUT LIGAND
RMSD bond length	0.009
RMSD bond angle	1.367
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.3_1477))

Data quality characteristics

	Overall
Low resolution limit [Å]	44.472
High resolution limit [Å]	2.400
Number of reflections	47898
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	298	0.1 M NaAc pH 4.6, 0.1 M CdCl2, 18% (w/v) PEG monomethylether 550, VAPOR DIFFUSION, SITTING DROP, temperature 298K