7OSO
The crystal structure of Erwinia tasmaniensis levansucrase in complex with (S)-1,2,4-butanentriol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-20 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 127.713, 127.713, 61.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.190 - 1.400 |
R-factor | 0.1342 |
Rwork | 0.133 |
R-free | 0.16380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d47 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.468 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.190 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.050 | |
Number of reflections | 189742 | 30398 |
<I/σ(I)> | 23.25 | |
Completeness [%] | 99.9 | |
Redundancy | 5.6 | |
CC(1/2) | 1.000 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3000 15%, 1,2,4-Butanetriol (CAS 3068-00-6) 20%, NDSB 256 1%, 2.5 mM Manganese(II) chloride tetrahydrate, 2.5 mM Cobalt(II) chloride hexahydrate, 2.5 mM Nickel(II) chloride hexahydrate, 2.5 mM Zinc acetate dihydrate) |