3WP6
The complex structure of CDBFV E109A with xylotriose
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 | 2012-09-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 64 |
| Unit cell lengths | 93.219, 93.219, 43.364 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.540 - 1.430 |
| R-factor | 0.12951 |
| Rwork | 0.128 |
| R-free | 0.15975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wp4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.639 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.052 | 0.492 |
| Number of reflections | 39995 | |
| <I/σ(I)> | 37.8 | 3.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.1 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M sodium cacodylate, pH 6.5, 0.2M ammonium sulfate, 26% PEG 8000, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
