7YWC

Enzyme of biosynthetic pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	44.348, 94.819, 72.675
Unit cell angles	90.00, 94.07, 90.00

Refinement procedure

Resolution	40.088 - 1.917
R-factor	0.1863
Rwork	0.183
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	None
RMSD bond length	0.007
RMSD bond angle	1.113
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.088	40.090	2.130
High resolution limit [Å]	1.900	5.960	2.010
Rmerge		0.022	0.546
Rmeas		0.027	0.756
Number of reflections	43882	1518	5758
<I/σ(I)>	12.06	41.15	2.1
Completeness [%]	95.4	96	89.4
Redundancy	2.6	3.131	1.76
CC(1/2)	0.990	0.999	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	100 mM Sodiun citrate, 20 % PEG 4000, 200 mM Ammonium sulfate