7KPT

Crystal structure of CtdE in complex with FAD and substrate 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	157.279, 48.527, 67.643
Unit cell angles	90.00, 114.49, 90.00

Refinement procedure

Resolution	34.020 - 1.910
R-factor	0.1713
Rwork	0.170
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kpq
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19rc3_4028)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.078	0.849
Rmeas	0.088	0.949
Rpim	0.040	0.421
Number of reflections	35699	1774
<I/σ(I)>	26.2	6
Completeness [%]	98.7	98.1
Redundancy	4.5	4.6
CC(1/2)		0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Calcium chloride, 20% w/v PEG 6000, 10% v/v Ethylene glycol