5Z44

Crystal structure of prenyltransferase AmbP1 complexed with GSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.1000
Spacegroup name	P 41
Unit cell lengths	115.717, 115.717, 48.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.676 - 2.458
R-factor	0.1905
Rwork	0.185
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z43
RMSD bond length	0.008
RMSD bond angle	0.968
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]	48.400	2.560
High resolution limit [Å]	2.458	2.460
Rmerge	0.039	0.413
Number of reflections	23647	2713
<I/σ(I)>	17.3	2.3
Completeness [%]	99.6	99.8
Redundancy	3.5	3.5
CC(1/2)	0.999	0.867

Crystallization Conditions

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