5Z45

Crystal structure of prenyltransferase AmbP1 pH6.5 complexed with GSPP and cis-indolyl vinyl isonitrile

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-07
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 41
Unit cell lengths	116.257, 116.257, 49.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.196 - 2.601
R-factor	0.1985
Rwork	0.191
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z43
RMSD bond length	0.008
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.550	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.059	0.479
Number of reflections	20537	2459
<I/σ(I)>	14.1	2.3
Completeness [%]	99.0	99.2
Redundancy	3.8
CC(1/2)	0.998	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM MES (pH6.5), 0.2M MgCl2, 22% PEG8000