3UGG
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 1-kestose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.420, 123.800, 146.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.490 - 2.900 |
R-factor | 0.1975 |
Rwork | 0.196 |
R-free | 0.23380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.136 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.287 | 32.620 | 3.060 |
High resolution limit [Å] | 2.900 | 9.170 | 2.900 |
Rmerge | 0.063 | 0.446 | |
Total number of observations | 7659 | 36734 | |
Number of reflections | 36295 | ||
<I/σ(I)> | 12.3 | 9.3 | 1.6 |
Completeness [%] | 99.9 | 96.9 | 100 |
Redundancy | 7.2 | 6.2 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.1M citrate, 0.7M ammonium sulfate, 1M Li-sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |