6B5F

Crystal structure of nicotinate mononucleotide-5,6-dimethylbenzimidazole phosphoribosyltransferase CobT from Yersinia enterocolitica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-08-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	72.155, 73.875, 119.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.114 - 1.950
R-factor	0.151
Rwork	0.150
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5o
RMSD bond length	0.005
RMSD bond angle	0.697
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	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.072	0.575
Rpim	0.028	0.227
Number of reflections	47242	2295
<I/σ(I)>	28.62	2.27
Completeness [%]	99.8	99.9
Redundancy	7.3	7.1
CC(1/2)		0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES pH 6.5, 0.2 M ammonium sulfate, 30% (w/v) PEG 5K MME, cryoprotectant paratone