8DSV

The structure of NicA2 in complex with N-methylmyosmine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-04
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	75.080, 86.700, 152.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.180 - 2.500
R-factor	0.1669
Rwork	0.165
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c4a
RMSD bond length	0.004
RMSD bond angle	0.641
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.180	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	34120	3430
<I/σ(I)>	11.7	5.2
Completeness [%]	97.2
Redundancy	7
CC(1/2)	0.894	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M ammonium citrate tribasic, pH 7.0, 20% PEG3350