7W8V

DMSPP- and Trp-bound 6-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	2016-11-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	49.686, 45.090, 78.407
Unit cell angles	90.00, 97.19, 90.00

Refinement procedure

Resolution	49.300 - 1.610
R-factor	0.1946
Rwork	0.193
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w8u
RMSD bond length	0.009
RMSD bond angle	1.005
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]	49.300	1.671
High resolution limit [Å]	1.610	1.610
Number of reflections	44406	4317
<I/σ(I)>	7.68
Completeness [%]	95.8
Redundancy	3.3
CC(1/2)	0.926	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	HPEPES pH7.5, Ammoniumu Sulfate