6JYY

Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9826
Spacegroup name	P 21 21 21
Unit cell lengths	51.356, 110.091, 125.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.430 - 2.000
Rwork	0.178
R-free	0.23800
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.395
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	47921	1037
<I/σ(I)>	14.33
Completeness [%]	96.8
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.2 M magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride(pH 8.5), 30% w/v polyethylene glycol 4,000