1RUM
Crystal structure (F) of H2O2-soaked cationic cyclization antibody 4C6 fab at pH 8.5 with a data set collected at SSRL beamline 9-1.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9706 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 64.386, 64.386, 266.983 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.480 |
Rwork | 0.175 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ncw |
RMSD bond length | 0.012 |
RMSD bond angle | 2.200 * |
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 | 1.520 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.070 * | |
Number of reflections | 92687 * | |
<I/σ(I)> | 29.6 | 1.4 |
Completeness [%] | 97.8 | 98.8 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 * | 295 | 0.1 M tris hydrochloride, pH 8.5, 0.2 M sodium acetate, 15% (w/v) PEG 4000, 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 |