6ZE2

FAD-dependent oxidoreductase from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	46.654, 116.774, 109.903
Unit cell angles	90.00, 90.80, 90.00

Refinement procedure

Resolution	46.690 - 1.310
R-factor	0.1072
Rwork	0.106
R-free	0.13700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ynt
RMSD bond length	0.013
RMSD bond angle	1.825
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MoRDa (1.2.00)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.690	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.045	0.489
Rmeas	0.053	0.599
Rpim	0.029	0.340
Number of reflections	268173	13444
<I/σ(I)>	11.2	2
Completeness [%]	95.4	96.8
Redundancy	3.2	2.8
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	17 % (w/v) PEG MME 5000, 0.1 M sodium acetate, pH 5.5, 0.16 M magnesium formate, 20 mM cystamine, protein concentration 8 mg/ml