4TTU
N-terminally truncated dextransucrase DSR-E from Leuconostoc mesenteroides NRRL B-1299 in complex with isomaltotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.87260 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.290, 100.100, 184.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.990 - 2.180 |
R-factor | 0.1687 |
Rwork | 0.166 |
R-free | 0.21305 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ttq |
RMSD bond length | 0.017 |
RMSD bond angle | 1.662 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.300 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.111 | |
Number of reflections | 66927 | |
<I/σ(I)> | 11 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285 | 15% PEG 3,350, 0.1M ammonium nitrate |