6IVR

Crystal structure of a membrane protein W16A

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	113.914, 159.568, 161.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.730 - 2.800
R-factor	0.21899
Rwork	0.217
R-free	0.24838
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.586
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]	161.700	2.860
High resolution limit [Å]	2.800	2.800
Rmerge	0.092	1.367
Rpim	0.039	0.577
Number of reflections	73119	4443
<I/σ(I)>	14.1
Completeness [%]	99.9	99.9
Redundancy	6.7	6.5
CC(1/2)		0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	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