7MJ1

LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.305
Spacegroup name	P 4 21 2
Unit cell lengths	120.445, 120.445, 213.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.762 - 3.402
R-factor	0.2444
Rwork	0.243
R-free	0.26890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d7a
RMSD bond length	0.008
RMSD bond angle	0.877
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.762	3.670
High resolution limit [Å]	3.400	3.400
Number of reflections	20627	3997
<I/σ(I)>	7.6
Completeness [%]	93.8
Redundancy	4.5
CC(1/2)	0.992	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM magnesium formate, 20% w/v PEG 3350, 2 mM nitrilotriacetic acid neutralized to a pH of ~7.5 with sodium hydroxide, and 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM NAD+ (disodium salt)