6C8Q

Crystal structure of NAD synthetase (NadE) from Enterococcus faecalis in complex with NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-07-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	85.445, 85.165, 175.811
Unit cell angles	90.00, 94.54, 90.00

Refinement procedure

Resolution	24.776 - 2.583
R-factor	0.1888
Rwork	0.188
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5huj
RMSD bond length	0.002
RMSD bond angle	0.540
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2733: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.117	0.723
Rpim	0.076	0.495
Number of reflections	77971	3667
<I/σ(I)>	7.8	0.83
Completeness [%]	99.2	94.9
Redundancy	3.2
CC(1/2)		0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1 M Bis-tris pH 5.5, 0.2 M magnesium chloride, 25% (w/v) PEG3350, 10 mM NAD+