4LE4
Crystal structure of PaGluc131A with cellotriose
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 | 2013-05-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.623, 61.854, 79.041 |
| Unit cell angles | 81.54, 75.16, 77.27 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| Rwork | 0.178 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4le3 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.297 | |
| Number of reflections | 87110 | |
| <I/σ(I)> | 3 | |
| Completeness [%] | 97.0 | 95.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M HEPES, 0.7M LiCl, 33% PEG6K, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
