6ZE7

Chaetomium thermophilum FAD-dependent oxidoreductase in complex with 4-nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	92.611, 109.674, 115.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.230 - 1.500
R-factor	0.156
Rwork	0.155
R-free	0.18162
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ze2
RMSD bond length	0.012
RMSD bond angle	1.776
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.230	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.086	0.908
Rmeas	0.096	1.008
Rpim	0.042	0.429
Number of reflections	186872	9171
<I/σ(I)>	10.6	1.7
Completeness [%]	99.5	99.2
Redundancy	5.2	5.3
CC(1/2)	0.997	0.668

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 4-nitrophenol, protein concentration 8 mg/ml