5Z46

Crystal structure of prenyltransferase AmbP1 pH8 complexed with GSPP and cis-indolyl vinyl isonitrile

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	2017-09-30
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 41
Unit cell lengths	117.267, 117.267, 49.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.745 - 1.999
R-factor	0.1909
Rwork	0.189
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z43
RMSD bond length	0.007
RMSD bond angle	0.911
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]	49.300	2.050
High resolution limit [Å]	1.999	2.000
Rmerge	0.052	0.583
Number of reflections	45762	3359
<I/σ(I)>	19.6	3.4
Completeness [%]	99.7	98.1
Redundancy	7.4	7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM MES, 0.2M MgCl2, 22% PEG8000, ligands were soaked at pH8.0