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 |