5XK6

Structure of a prenyltransferase soaked with IPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-28
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	68.552, 120.634, 130.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.559 - 1.580
R-factor	0.1529
Rwork	0.153
R-free	0.17300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xk3
RMSD bond length	0.012
RMSD bond angle	1.235
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.043	0.237
Number of reflections	147602	14590
<I/σ(I)>	43.8	6.8
Completeness [%]	99.9	99.8
Redundancy	4.4	4.3
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PROTEIN: 10 mg/mL in 25 mM Tris-Cl (pH 7.5) 150 mM NaCl RESERVOIR: 0.2 M (NH4)2SO4, 0.1 M MES pH 6.5, 30% PEG 5000MME SOAK: 5 mM MgCl2, 5 mM (NH4)4P2O7, 0.1 M MES pH 6.5, 30% PEG 5000MME, 10 mM IPP