7AN5

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	2017-12-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.918, 94.464, 71.692
Unit cell angles	90.00, 95.20, 90.00

Refinement procedure

Resolution	43.737 - 1.910
R-factor	0.2032
Rwork	0.202
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ahr
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.740	10.000	2.020
High resolution limit [Å]	1.910	5.680	1.910
Rmerge	0.068	0.033	0.606
Rmeas	0.085	0.041	0.857
Number of reflections	41744	1748	5275
<I/σ(I)>	12.74	31.73	2
Completeness [%]	92.1	98.4	72.5
Redundancy	2.642	3.125	1.735
CC(1/2)	0.997	0.998	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	100 mM Tris HCl 200 mM sodium acetate 30 % PEG 4000