6VO4

Crystal Structure Analysis of BFL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	39.550, 43.240, 43.490
Unit cell angles	90.00, 104.90, 90.00

Refinement procedure

Resolution	38.220 - 1.740
R-factor	0.2409
Rwork	0.239
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5whh
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.220	38.230	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmeas	0.063	0.042	1.990
Rpim	0.035	0.024	1.068
Total number of observations	43051	2090	2190
Number of reflections	13579	668	653
<I/σ(I)>	11.2	30.7	0.7
Completeness [%]	92.3	87.3	92.9
Redundancy	3.2	3.1	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	3.5M Sodium formate, pH 7.0