3WDX
The complex structure of E113A with glucotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.149, 93.575, 75.393 |
Unit cell angles | 90.00, 117.60, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.900 |
Rwork | 0.177 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wdt |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.051 | 0.306 |
Number of reflections | 54433 | |
<I/σ(I)> | 27.9 | 3.1 |
Completeness [%] | 98.0 | 97.2 |
Redundancy | 4.6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M ammonium sulfate, 0.1M sodium cacodylate, 34%(w/v) PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |