3WDY
The complex structure of E113A with cellotetraose
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 | P 1 21 1 |
| Unit cell lengths | 75.283, 92.311, 98.320 |
| Unit cell angles | 90.00, 100.57, 90.00 |
Refinement procedure
| Resolution | 24.670 - 1.940 |
| Rwork | 0.184 |
| R-free | 0.22200 |
| 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 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.065 | 0.443 |
| Number of reflections | 97796 | |
| <I/σ(I)> | 20.3 | 2.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.9 | 4.9 |
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 |
