9DQ9

Borrelia burgdorferi LDH with NADH and oxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	80.528, 90.348, 167.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.470 - 2.100
R-factor	0.2011
Rwork	0.200
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.470	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.361
Rmeas	0.393
Rpim	0.154
Number of reflections	71544	7019
<I/σ(I)>	3.7
Completeness [%]	97.9	85.4
Redundancy	3.4
CC(1/2)	0.799	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM HEPES pH 7.4-7.6 100 mM calcium acetate 40% PEG400