6EKE
crystal structure of a Pholiota squarrosa lectin unliganded
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-22 |
Detector | MARRESEARCH |
Wavelength(s) | 0.984 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.229, 67.670, 30.985 |
Unit cell angles | 90.00, 97.25, 90.00 |
Refinement procedure
Resolution | 33.830 - 1.700 |
R-factor | 0.17298 |
Rwork | 0.171 |
R-free | 0.21119 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.620 |
Data reduction software | XDS (20160617) |
Data scaling software | Aimless (0.5.27) |
Phasing software | SHELXCD (2013) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.830 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.045 | 0.349 |
Rpim | 0.041 | 0.304 |
Number of reflections | 12666 | 644 |
<I/σ(I)> | 14.8 | 3 |
Completeness [%] | 99.5 | 97.6 |
Redundancy | 4 | 3.6 |
CC(1/2) | 0.997 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 292 | 18% butane1,4diol, 300mM zinc acetate, 100 mM imidazole ph 7.0 |