1RUP
Crystal structure (G) of native cationic cyclization antibody 4C6 fab at pH 8.5 with a data set collected at APS beamline 19-ID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-06 |
| Detector | SBC-2 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.197, 64.197, 266.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.400 |
| Rwork | 0.161 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ncw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.300 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.430 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.079 * | |
| Number of reflections | 104925 | |
| <I/σ(I)> | 31.4 | 2.4 |
| Completeness [%] | 93.4 | 90.7 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 * | 295 | 0.1 M tris hydrochloride, 0.2 M sodium acetate, 15% (w/v) PEG 4000 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 26 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.1 (M) | pH5.5 |
| 3 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
| 4 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
