6NXI

Flavin Transferase ApbE from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-24
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	39.121, 70.957, 106.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 1.610
R-factor	0.1745
Rwork	0.172
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pnd
RMSD bond length	0.011
RMSD bond angle	1.697
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.700	42.700	1.650
High resolution limit [Å]	1.610	4.400	1.610
Rmerge	0.097	0.073	0.693
Rmeas	0.104	0.078	0.758
Rpim	0.037	0.028	0.299
Number of reflections	38465	2128	1667
<I/σ(I)>	7.3		1.74
Completeness [%]	98.9	99.7	88.1
Redundancy	7.7	7.5	6.1
CC(1/2)	0.985	0.995	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	289	0.1 M sodium acetate, 25% PEG 4000, 8% isopropanol