1Q9K
S25-2 Fab Unliganded 1
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 | 2002-03-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.15 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.800, 112.200, 41.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.960 |
| Rwork | 0.228 |
| R-free | 0.27500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q9o S45-18 Fab unliganded |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.054 * | 0.328 * |
| Total number of observations | 203789 * | |
| Number of reflections | 31827 * | 2827 * |
| Completeness [%] | 96.1 * | 87.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | zinc acetate, magnesium chloride, PEG 4000, PEG 8000, cacodylate, tris, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 18 (mg/ml) | |
| 2 | 1 | drop | 40 (mM) | ||
| 3 | 1 | drop | 30 (mM) | ||
| 4 | 1 | drop | PEG4000 | 8 (%(w/v)) | |
| 5 | 1 | drop | ethylene glycol | 11 (%(w/v)) | |
| 6 | 1 | drop | Tris | 20 (mM) | pH8 |
| 7 | 1 | reservoir | 200 (mM) | ||
| 8 | 1 | reservoir | PEG4000 | 25 (%(w/v)) | |
| 9 | 1 | reservoir | Tris | 100 (mM) | pH8.5 |
