4YLA

Crystal structure of the indole prenyltransferase MpnD complexed with indolactam V and DMSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	46.830, 54.080, 132.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.861 - 1.400
R-factor	0.1791
Rwork	0.178
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yzj
RMSD bond length	0.009
RMSD bond angle	1.247
Data reduction software	XDS (XDS-OSX10.9.4_Darwin13.3.0)
Data scaling software	XSCALE (OSX10.9.4_Darwin13.3.0)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.049	0.452
Number of reflections	66872
<I/σ(I)>	22.83	4.03
Completeness [%]	99.7	99.2
Redundancy	6.98	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Tris-HCl (pH8.5), 1470 mM (NH)2SO4