6NX7

ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-06-10
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	126.199, 126.199, 89.439
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.150
R-factor	0.1348
Rwork	0.132
R-free	0.18280
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.020
RMSD bond angle	1.967
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	REFMAC (5.8.0158)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.102	0.026	0.632
Rmeas	0.118	0.030	0.744
Rpim	0.059	0.015	0.385
Total number of observations	168511
Number of reflections	44670	2373	2231
<I/σ(I)>	7.4
Completeness [%]	99.3	98.7	99.5
Redundancy	3.8	3.7	3.5
CC(1/2)		0.996	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 5.6, and 20 mM L-Asn. Resulting droplets were equilibrated against the precipitant. For the data collection, crystal was mounted in a quartz capillary