6NOK

The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with myristic acid (C14:0) to 1.69 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-08
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	37.556, 66.324, 46.953
Unit cell angles	90.00, 95.75, 90.00

Refinement procedure

Resolution	38.193 - 1.690
R-factor	0.1545
Rwork	0.152
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dke
RMSD bond length	0.017
RMSD bond angle	1.482
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((dev_3354: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.320	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.056	0.669
Rmeas	0.066	0.790
Rpim	0.034	0.415
Number of reflections	25680	1310
<I/σ(I)>	16.2	2
Completeness [%]	99.8	99.8
Redundancy	3.6	3.5
CC(1/2)	0.998	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M MES PH6.5, 30% (W/V) PEG4000 (Qiagen PEG2 / D7)