6NXJ

Flavin Transferase ApbE from Vibrio cholerae, H257G mutant

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 1 21 1
Unit cell lengths	49.161, 71.922, 104.569
Unit cell angles	90.00, 93.29, 90.00

Refinement procedure

Resolution	36.850 - 1.920
R-factor	0.1963
Rwork	0.194
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pnd
RMSD bond length	0.010
RMSD bond angle	1.569
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]	36.850	36.850	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.107	0.049	0.640
Rmeas	0.127	0.058	0.775
Rpim	0.067	0.030	0.431
Number of reflections	53702	2811	2614
<I/σ(I)>	5.6		1.53
Completeness [%]	97.0	97.9	95
Redundancy	3.3	3.5	2.9
CC(1/2)	0.992	0.995	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M sodium acetate, 22% PEG 4000, 0.1 M HEPES buffer