6KBQ
Crystal Structure of Lectin from Pleurotus ostreatus in complex with Glycerol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-16 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 152.445, 152.445, 145.762 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.654 - 2.299 |
R-factor | 0.2004 |
Rwork | 0.199 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w5n |
RMSD bond length | 0.009 |
RMSD bond angle | 1.003 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.380 |
High resolution limit [Å] | 2.299 | 4.950 | 2.300 |
Rmerge | 0.081 | 0.035 | 0.854 |
Rmeas | 0.088 | 0.039 | 0.929 |
Rpim | 0.034 | 0.015 | 0.362 |
Number of reflections | 44609 | 4676 | 4422 |
<I/σ(I)> | 6 | ||
Completeness [%] | 99.3 | 97.2 | 99.9 |
Redundancy | 6.4 | 6.1 | 6.5 |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | 1.4M Na2HPO4/K2HPO4, 33% Glycerol |