7AHR

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 21 21 21
Unit cell lengths	73.341, 87.257, 95.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.890 - 2.210
R-factor	0.247
Rwork	0.245
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nxo
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]	43.629	10.000	2.340
High resolution limit [Å]	2.210	6.560	2.210
Rmerge	0.305	0.087	1.410
Rmeas	0.333	0.096	1.548
Total number of observations	189855
Number of reflections	31045	1297	4859
<I/σ(I)>	4.98	14.54	1.41
Completeness [%]	98.9	98.3	97.5
Redundancy	6.115	5.702	5.798
CC(1/2)	0.990	0.997	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG 4000 and 30% Ethylene glycol