7MJ2

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

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	2018-11-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.976
Spacegroup name	P 4 21 2
Unit cell lengths	120.102, 120.102, 212.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.981 - 2.800
R-factor	0.2116
Rwork	0.210
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d7a
RMSD bond length	0.009
RMSD bond angle	1.003
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]	34.030	2.910
High resolution limit [Å]	2.796	2.800
Rmerge		0.088
Rmeas		0.091
Rpim		0.025
Number of reflections	39160	4327
<I/σ(I)>	18.5
Completeness [%]	99.6	99.8
Redundancy	22.6	18.9
CC(1/2)	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 75 mM magnesium formate, 2 mM nitrilotriacetic acid (pH to 7.5 with sodium hydroxide), 0.7 mM zinc sulfate