7AN6

Enzyme of biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-25
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	44.209, 95.199, 72.504
Unit cell angles	90.00, 93.54, 90.00

Refinement procedure

Resolution	35.890 - 1.910
R-factor	0.2118
Rwork	0.210
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ahr
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.892	3.300	2.030
High resolution limit [Å]	1.910	2.860	1.910
Rmerge	0.103	0.112	0.912
Rmeas	0.124	0.130	1.289
Number of reflections	45399	4808	6827
<I/σ(I)>	9.65	13.74	1.3
Completeness [%]	98.1	99.7	91.7
Redundancy	2.973	3.758	1.667
CC(1/2)	0.995	0.991	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100mM MES Sodium salt, 600mM Sodium chloride, 20% w/v PEG4000