8SPM

Crystal structure of NikA in complex Ni-AMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-05
Detector	RAYONIX MX-300
Wavelength(s)	1.18
Spacegroup name	P 41 2 2
Unit cell lengths	66.420, 66.420, 267.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.150 - 2.150
R-factor	0.1918
Rwork	0.189
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.094
Rmeas	0.098
Number of reflections	33650	3262
<I/σ(I)>	18.15	0.77
Completeness [%]	93.0	74.89
Redundancy	14.1
CC(1/2)	0.999	0.252

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	294	0.17 M ammonium acetate, 0.1 M sodium citrate pH 5.8, 23% PEG 4000, and 17% glycerol