7W8W

DMSPP- and 5-Me-Trp-bound 6-dimethylallyl tryptophan synthase, IptA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	93.15
Detector technology	CCD
Collection date	2017-07-24
Detector	RAYONIX MX225HE
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	49.728, 44.878, 78.336
Unit cell angles	90.00, 98.38, 90.00

Refinement procedure

Resolution	49.200 - 1.800
R-factor	0.1951
Rwork	0.193
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w8u
RMSD bond length	0.008
RMSD bond angle	0.950
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]	49.200	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	31974	3165
<I/σ(I)>	9.35
Completeness [%]	99.7
Redundancy	3.8
CC(1/2)	0.992	0.207

Crystallization Conditions

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