4GWJ
His 62 mutant of the lectin binding domain of Lectinolysin complexed with Lewis b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-01 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.923, 66.923, 99.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.900 - 1.600 |
| R-factor | 0.18068 |
| Rwork | 0.179 |
| R-free | 0.21028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gwi |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.983 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.109 | 0.080 | 0.571 |
| Number of reflections | 29510 | ||
| <I/σ(I)> | 16 | ||
| Completeness [%] | 96.7 | 79.3 | 99.5 |
| Redundancy | 13.7 | 11.2 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 294 | 2.4M MgSO4, 0.1M KCl, 0.1M Tris, pH 8.75, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
