9DQ7

Borrelia burgdorferi LDH with NADH, oxamate and FBS

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	80.958, 91.249, 166.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 2.110
R-factor	0.1768
Rwork	0.175
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ldn
RMSD bond length	0.004
RMSD bond angle	0.652
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.980	2.180
High resolution limit [Å]	2.110	2.110
Rmerge	0.237
Rmeas	0.259
Rpim	0.103	0.683
Number of reflections	70826	6558
<I/σ(I)>	12.7
Completeness [%]	98.7	92.2
Redundancy	6.2	5.7
CC(1/2)	0.971	0.486

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