5Z66

Structure of periplasmic trehalase from Diamondback moth gut bacteria complexed with validoxylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97937
Spacegroup name	C 1 2 1
Unit cell lengths	122.030, 51.450, 96.400
Unit cell angles	90.00, 106.95, 90.00

Refinement procedure

Resolution	30.497 - 1.800
R-factor	0.1643
Rwork	0.163
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jg0
RMSD bond length	0.004
RMSD bond angle	0.729
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.500	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.099	0.628
Rmeas	0.120	0.758
Rpim	0.082	0.521
Number of reflections	53185	3172
<I/σ(I)>	9.4	1.9
Completeness [%]	97.9	100
Redundancy	3	3.1
CC(1/2)	0.992	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.2 M Ammonium sulphate, 28% PEG 4000