6NX8

ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 6.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-05-11
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	126.280, 126.280, 89.686
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 1.850
R-factor	0.13
Rwork	0.129
R-free	0.15550
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.019
RMSD bond angle	1.938
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.071	0.019	0.750
Rmeas	0.080	0.021	0.864
Rpim	0.036	0.009	0.420
Total number of observations	333956
Number of reflections	70498	3675	3480
<I/σ(I)>	12.2
Completeness [%]	99.9	98.6	99.7
Redundancy	4.7	5.1	3.9
CC(1/2)		0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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, 0.17 M ammonium citrate pH 6.2, and 20 mM L-Asn. Resulting droplets were equilibrated against the precipitant. For the data collection, crystal was mounted in a quartz capillary