7W8U

Crystal Structure of Indole Prenyltransferase 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	2016-09-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	49.540, 44.940, 80.420
Unit cell angles	90.00, 95.90, 90.00

Refinement procedure

Resolution	49.280 - 2.250
R-factor	0.1918
Rwork	0.190
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5inj
RMSD bond length	0.001
RMSD bond angle	0.464
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]	49.280	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	16968	1609
<I/σ(I)>	17.46
Completeness [%]	98.3
Redundancy	3.5
CC(1/2)	0.993	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	HEPES pH7.0, ammonium sulfate, DTT