6NXA

ECAII(D90T,K162T) MUTANT AT PH 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-02
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	151.885, 62.509, 143.160
Unit cell angles	90.00, 118.19, 90.00

Refinement procedure

Resolution	26.540 - 1.930
R-factor	0.1547
Rwork	0.152
R-free	0.22740
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.020
RMSD bond angle	2.317
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.100	0.029	0.512
Rmeas	0.119	0.034	0.628
Rpim	0.064	0.018	0.359
Total number of observations	284693
Number of reflections	86035	4591	3528
<I/σ(I)>	7.8
Completeness [%]	96.1	99.1	79
Redundancy	3.3	3.5	2.5
CC(1/2)		0.998	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Protein, at the concentration 15 mg/ml in 50 mM HEPES buffer pH 7 and 150 mM sodium chloride was mixed with equivolume solution of precipitant that contained, 17% (w/v) PEG3350 and 0.17 M ammonium citrate pH 7. Resulting droplets were equilibrated against the precipitant. For the data collection, crystal was briefly transferred to cryo-protecting solution, which had the same composition as precipitant, except concentration of PEG3350 was increased to 35 % (v/w/) and 10% (v/v), and also contained 15% of glycerol