5X00

Nucleoside Diphosphate Kinase from Vibrio cholerae is a Thermolabile Type II tetramer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-12-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	48.370, 71.210, 89.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.637 - 3.060
R-factor	0.2298
Rwork	0.228
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s0m
RMSD bond length	0.002
RMSD bond angle	0.464
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless (1.10.26)
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.640	3.310
High resolution limit [Å]	3.060	3.060
Rmerge	0.180	0.710
Rpim	0.090	0.490
Number of reflections	5538	1162
<I/σ(I)>	2.1	2.1
Completeness [%]	91.4	94.9
Redundancy	4.6	4.5
CC(1/2)	0.900	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	285	0.2 M Sodium acetate, 0.1 M Tris-HCl pH 8.5, 30% PEG 4000