5WP0

Crystal structure of NAD synthetase NadE from Vibrio fischeri

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	2017-05-30
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	49.252, 115.887, 55.086
Unit cell angles	90.00, 112.42, 90.00

Refinement procedure

Resolution	24.867 - 2.600
R-factor	0.2034
Rwork	0.200
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q4g
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
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	0.165	0.768
Rpim	0.087	0.398
Number of reflections	17622	878
<I/σ(I)>	9.33	2.06
Completeness [%]	99.7	99.8
Redundancy	4.4	4.4
CC(1/2)		0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2 M MgCl2, 0.1 M HEPES pH 7.5, 21% PEG 3350, 0.5 mM CaCl2