7LGB

ChsB1 in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-08-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	84.662, 84.233, 47.341
Unit cell angles	90.00, 116.19, 90.00

Refinement procedure

Resolution	42.480 - 2.210
R-factor	0.1707
Rwork	0.167
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kzp
RMSD bond length	0.014
RMSD bond angle	0.935
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.480	2.250
High resolution limit [Å]	2.210	2.210
Rmerge	0.150	0.780
Number of reflections	103397	103397
<I/σ(I)>	9.4	2.3
Completeness [%]	100.0
Redundancy	6.9
CC(1/2)	0.995	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297.15	0.2M Sodium citrate, 0.1M HEPES pH7.5, 30% v/v 2-methyl-2,4-pentanediol