6LBF

Crystal structure of FEM1B

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 4 21 2
Unit cell lengths	127.810, 127.810, 143.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.678 - 3.252
R-factor	0.2216
Rwork	0.218
R-free	0.25250
Structure solution method	MAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	CRANK2
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.370
High resolution limit [Å]	3.250	3.250
Rmerge	1.980
Number of reflections	19211	1893
<I/σ(I)>	12.3
Completeness [%]	100.0
Redundancy	25.2
CC(1/2)	1.000	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M Tris-HCl, pH 8.5, 0.1M Guanidine hydrochloride, 0.8M Potassium sodium tartrate tetrahydrate, 0.5% w/v Polyethylene glycol monomethyl ether 5000