6KBJ
Structure of Lectin from Pleurotus ostreatus in complex with malonate
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 | 2017-06-15 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 152.477, 152.477, 146.162 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.1891 |
Rwork | 0.188 |
R-free | 0.21510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w5n |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX (v1.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 132.000 | 50.000 | 2.260 |
High resolution limit [Å] | 2.180 | 4.700 | 2.180 |
Rmerge | 0.116 | 0.039 | 1.678 |
Rmeas | 0.120 | 0.041 | 1.000 |
Rpim | 0.033 | 0.011 | 0.472 |
Number of reflections | 52573 | 5587 | 5138 |
<I/σ(I)> | 7.3 | ||
Completeness [%] | 99.9 | 99.3 | 100 |
Redundancy | 13.4 | 12.7 | 13.2 |
CC(1/2) | 0.999 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 300 | 1.9M sodium malonate |