1Q9W
S45-18 Fab pentasaccharide bisphosphate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-07-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.200, 113.900, 133.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.750 |
| Rwork | 0.212 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q9o S45-18 Fab unliganded |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.063 * | 0.396 * |
| Total number of observations | 406104 * | |
| Number of reflections | 106111 * | 10237 * |
| Completeness [%] | 95.8 * | 93.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 * | Nguyen, H.P., (2001) Acta Cryst., D57, 1872. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 9 (mg/ml) | with pentasaccharide bisphosphate antigen |
| 2 | 1 | drop | 0.13 (M) | ||
| 3 | 1 | drop | PEG4000 | 13 (%(w/v)) | |
| 4 | 1 | drop | Tris | 67 (mM) | pH8.5 |
| 5 | 1 | reservoir | 0.2 (M) | ||
| 6 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
| 7 | 1 | reservoir | Tris | 0.1 (M) | pH8.5 |
