2JF4

Family 37 trehalase from Escherichia coli in complex with validoxylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	49.399, 102.696, 103.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.570 - 2.200
R-factor	0.166
Rwork	0.163
R-free	0.21400
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.290
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	autoSHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.400
Number of reflections	27378
<I/σ(I)>	13.7	4.7
Completeness [%]	99.9	100
Redundancy	6	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		15 MG/ML PROTEIN. 25% PEG3350 AND 0.1 M BIS-TRIS HCL, PH 6.5.