7KPQ

Crystal structure of CtdE in complex with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00003
Spacegroup name	P 32 2 1
Unit cell lengths	88.998, 88.998, 108.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.410 - 2.100
R-factor	0.1873
Rwork	0.186
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pvh
RMSD bond length	0.004
RMSD bond angle	0.796
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]	34.410	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.069
Rmeas	0.073
Rpim	0.023	0.348
Number of reflections	29584	1468
<I/σ(I)>	32.8	2.2
Completeness [%]	99.6	98.83
Redundancy	9.7	9.2
CC(1/2)		0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298.15	0.1M calcium chloride dihydrate, 20% w/v PEG6000, 10% v/v ethylene glycol