7MJ0

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

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	2019-11-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 4 21 2
Unit cell lengths	121.284, 121.284, 213.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.788 - 3.010
R-factor	0.2373
Rwork	0.235
R-free	0.27460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d7a
RMSD bond length	0.010
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	6.670	3.170
High resolution limit [Å]	3.010	5.300	3.010
Rmerge	0.145	0.101
Rmeas	0.153	0.107
Rpim	0.049	0.034
Number of reflections	32347	3036	4619
<I/σ(I)>	4.9
Completeness [%]	99.9	100	99.9
Redundancy	9.7	9.6	9.1
CC(1/2)		0.996	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 100 mM Magnesium formate, 2 mM nitrilotriacetic acid (pH to 7.5 with sodium hydroxide), 0.7 mM zinc sulfate, 10 mM EDTA, 10 mM AMP