7DQV

Crystal structure of a CmABCB1 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 3 2
Unit cell lengths	175.667, 175.667, 175.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.700 - 2.150
R-factor	0.1862
Rwork	0.185
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a6m
RMSD bond length	0.007
RMSD bond angle	0.838
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.070	0.968
Rmeas	0.072	0.816
Number of reflections	95087	15216
<I/σ(I)>	27.4	2.25
Completeness [%]	99.7	98.4
Redundancy	17.7	8.46
CC(1/2)	1.000	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	19% (w/v) PEG 2000 MME, 100mM magnesium nitrate, 100mM potassium chloride