6ZV5
CML1 crystal structure in complex with Lewis a tetrasaccharide
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97856 |
Spacegroup name | P 31 |
Unit cell lengths | 73.925, 73.925, 119.592 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.700 - 1.950 |
Rwork | 0.187 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zu2 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.734 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.700 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.056 | 0.500 |
Rmeas | 0.064 | 0.575 |
Rpim | 0.030 | 0.274 |
Number of reflections | 52412 | 3768 |
<I/σ(I)> | 13 | |
Completeness [%] | 98.4 | 99.4 |
Redundancy | 4.3 | 4.2 |
CC(1/2) | 0.999 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 1.6 M AMSO4, 100 mM trisodium pH 5.6. Crystal flashed freezed in liquid nitrogen after transfer in 2.5 M Li2SO4 |