1Q9L
S25-2 Fab Unliganded 2
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 | 2002-09-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.700, 96.000, 114.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.280 |
| Rwork | 0.216 |
| R-free | 0.28700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q9o S45-18 Fab unliganded |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| 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 * | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.053 * | 0.380 * |
| Total number of observations | 230670 * | |
| Number of reflections | 38076 * | 3282 * |
| Completeness [%] | 88.4 * | 77.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | zinc acetate, magnesium chloride, PEG 8000, PEG 4000, cacodylate, tris, pH 7.0, 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 | Tris | 200 (mM) | |
| 8 | 1 | reservoir | 25 (%(w/v)) | ||
| 9 | 1 | reservoir | PEG4000 | 100 (mM) | pH8.5 |
