7AN8

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	2018-12-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	44.956, 95.075, 72.137
Unit cell angles	90.00, 93.96, 90.00

Refinement procedure

Resolution	47.540 - 2.010
R-factor	0.2101
Rwork	0.209
R-free	0.23520
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]	47.540	10.000	2.140
High resolution limit [Å]	2.010	6.000	2.010
Rmerge	0.099	0.032	0.529
Rmeas	0.136	0.045	0.724
Number of reflections	73407	2854	9824
<I/σ(I)>	6.69	19.12	1.66
Completeness [%]	93.2	95.7	76.9
Redundancy	1.901	1.951	1.639
CC(1/2)	0.992	0.997	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18 mM MES Sodium Salt, 4.5% v/v 2-Propanol, 25% w/v PEG 4000, 10% v/v Glycerol