5YVF

Crystal structure of BFA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	79.925, 134.628, 149.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.728 - 2.804
R-factor	0.2229
Rwork	0.221
R-free	0.26090
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.124	0.068	0.991
Rmeas	0.126	0.074
Rpim	0.049	0.029	0.389
Total number of observations	293124
Number of reflections	40170	4269	3940
<I/σ(I)>	6.3
Completeness [%]	99.8	99.6	99.6
Redundancy	7.3	6.6	7.4
CC(1/2)		0.998	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	289	0.1 M Bis-Tris, pH 6.3, 0.3 M MgCl2, 28% (w/v) PEG 3350