7CF8

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)	0.9792
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	0.2197
Rwork	0.218
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u7x
RMSD bond length	0.016
RMSD bond angle	1.890
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]	131.625	2.286
High resolution limit [Å]	2.207	2.207
Rmerge	0.047
Number of reflections	104443	10404
<I/σ(I)>	19.84
Completeness [%]	99.8
Redundancy	2
CC(1/2)		0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M imidazole, 1.0M (NH4)2HPO4, pH 8.0