7JP2

Crystal structure of TP0037 from Treponema pallidum, a D-lactate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-12
Detector	DECTRIS PILATUS3 X 1M
Wavelength(s)	0.97914
Spacegroup name	P 21 21 21
Unit cell lengths	72.660, 94.687, 101.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.082 - 1.380
R-factor	0.1369
Rwork	0.136
R-free	0.15800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xdw
RMSD bond length	0.005
RMSD bond angle	0.901
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.400
High resolution limit [Å]	1.380	3.750	1.380
Rmerge	0.047	0.029	0.296
Rmeas	0.054	0.033	0.337
Rpim	0.025	0.016	0.157
Total number of observations	618853
Number of reflections	143109	7558	7071
<I/σ(I)>	6.8
Completeness [%]	99.5	99.1	98.8
Redundancy	4.3	4.3	4.3
CC(1/2)		0.998	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM sodium-potassium phosphate, 100 mM Bis-Tris propane pH 7.5, 20% (w/v) PEG3350