1GNZ
LECTIN I-B4 FROM GRIFFONIA SIMPLICIFOLIA (GS I-B4)METAL FREE FORM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 285 |
| Detector technology | CCD |
| Collection date | 2000-10-15 |
| Detector | QUANTUM CORPORATION |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 75.927, 75.927, 190.566 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.228 |
| Rwork | 0.228 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bjk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.795 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 | 0.501 |
| Total number of observations | 53046 * | |
| Number of reflections | 11985 | 1144 * |
| <I/σ(I)> | 20 | |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 4.42 * | 4.31 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 18 * | pH 8.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
| 2 | 1 | reservoir | ammonium dihydrogen phosphate | 2 (M) | |
| 3 | 1 | drop | water | 5 (%) | |
| 4 | 1 | drop | GS I-B4 | 5 (mg/ml) | |
| 5 | 1 | drop | alphaGal1-3Gal | 0.050 (mg/ml) |
