7W8X

DMSPP- and 6-Me-Trp-bound dimethylallyl tryptophan synthase, IptA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	93.15
Detector technology	PIXEL
Collection date	2018-01-31
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	49.675, 44.742, 78.918
Unit cell angles	90.00, 96.93, 90.00

Refinement procedure

Resolution	44.210 - 1.450
R-factor	0.1913
Rwork	0.190
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w8u
RMSD bond length	0.005
RMSD bond angle	0.808
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.210	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	60703	5855
<I/σ(I)>	10.15
Completeness [%]	98.8
Redundancy	3.5
CC(1/2)	0.988	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	HEPEH pH7.0, Ammonium Sulfate