4YL7

Crystal structure of the indole prenyltransferase MpnD from Marinactinospora thermotolerans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	173
Detector technology	CCD
Collection date	2013-11-02
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	46.660, 53.700, 132.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.139 - 1.601
R-factor	0.1813
Rwork	0.180
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yzj
RMSD bond length	0.006
RMSD bond angle	1.127
Data reduction software	XDS (XDS-OSX10.9.4_Darwin13.3.0)
Data scaling software	XSCALE (XDS-OSX10.9.4_Darwin13.3.0)
Phasing software	MOLREP (CCP4-6.4.0)
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.049	0.315
Number of reflections	44641
<I/σ(I)>	25.04	5.83
Completeness [%]	99.6	98.3
Redundancy	7.18	6.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Tris-HCl (pH8.5), 1470 mM (NH4)2SO4