9JTH

Crystal structure of NahX from Pseudomonas sp. MC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-04-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97942
Spacegroup name	I 41 2 2
Unit cell lengths	108.169, 108.169, 198.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.510 - 1.700
R-factor	0.1989
Rwork	0.199
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.111
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.075	0.046	0.475
Rmeas	0.077	0.047	0.496
Rpim	0.017	0.009	0.140
Number of reflections	64024	3490	2464
<I/σ(I)>	6.3
Completeness [%]	98.9	99.9	77.7
Redundancy	18	23.8	11.1
CC(1/2)	1.000	1.000	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296	0.1 M Sodium acetate pH 4.6, 0.02 M Calcium chloride, and 20 % (v/v) (+/-)-2-Methyl-2,4-pentanediol (MPD)