5HTP

Putative sugar kinases from Synechococcus elongatus PCC7942 in complex with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-11
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	103.515, 46.567, 87.991
Unit cell angles	90.00, 91.00, 90.00

Refinement procedure

Resolution	24.707 - 2.300
R-factor	0.1975
Rwork	0.194
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.886
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.082	0.503
Number of reflections	18681
<I/σ(I)>	10.18	1.79
Completeness [%]	98.9	99.8
Redundancy	2.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	281	0.1M BIS-TRIS pH 6.5, 20% w/v Polyethylene glycol monomethyl ether 5000