6IVL

Crystal structure of a membrane protein L259A

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	CCD
Collection date	2017-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	114.350, 160.539, 161.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 3.400
R-factor	0.21039
Rwork	0.209
R-free	0.24359
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.618
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.900	3.540
High resolution limit [Å]	3.400	3.400
Rmerge	0.088	0.835
Rpim	0.037	0.345
Number of reflections	41709	4641
<I/σ(I)>	15.4	2.6
Completeness [%]	100.0	100
Redundancy	6.6	6.8
CC(1/2)		0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	0.05 M zinc acetate, 6% v/v ethylene glycol, 0.1 M sodium cacodylate, pH 6.0, 6.6 % w/v PEG 8000