6NLO

Human ABCC6 NBD1 H812A in Apo state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-31
Detector	RIGAKU SATURN 944
Wavelength(s)	1.541780
Spacegroup name	P 32 2 1
Unit cell lengths	92.600, 92.600, 45.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.581 - 2.850
R-factor	0.232547704813
Rwork	0.229
R-free	0.25975
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bzs
RMSD bond length	0.005
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.581	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.204	1.474
Rmeas	0.209	1.550
Rpim	0.047	0.474
Number of reflections	5467	541
<I/σ(I)>	15.32	2
Completeness [%]	99.9	100
Redundancy	19.41	10.66
CC(1/2)	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	2.1-2.4M Ammonium Sulfate 0.1M HEPES pH 6.8-8.2