7FCA

PfkB(Mycobacterium marinum)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	291
Detector technology	CCD
Collection date	2019-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	128.415, 125.406, 137.518
Unit cell angles	90.00, 106.83, 90.00

Refinement procedure

Resolution	66.920 - 2.210
R-factor	0.2136
Rwork	0.212
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u7x
RMSD bond length	0.009
RMSD bond angle	1.033
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.920	2.286
High resolution limit [Å]	2.210	2.210
Number of reflections	104442	10403
<I/σ(I)>	19.84
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	pH 6.9, 0.49 M sodium phosphate monobasic monohydrate, 0.91 M potassium phosphate dibasic