2X2T
CRYSTAL STRUCTURE OF SCLEROTINIA SCLEROTIORUM AGGLUTININ SSA in complex with Gal-beta1,3-Galnac
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-21 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 51.458, 51.458, 295.987 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.330 - 1.970 |
R-factor | 0.16526 |
Rwork | 0.163 |
R-free | 0.19514 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x2s |
RMSD bond length | 0.014 |
RMSD bond angle | 1.448 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.000 | 2.080 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.140 | 0.500 |
Number of reflections | 17040 | |
<I/σ(I)> | 9 | 3.3 |
Completeness [%] | 97.8 | 98.9 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 1.26 M AMMONIUM SULFATE, 0.2 M LITHIUM SULFATE, 0.1 M TRIS PH 8.5 |