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 |
