1SM3
CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE
Experimental procedure
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 1996-07 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.200, 83.730, 67.240 |
Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.950 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mfe |
RMSD bond length | 0.017 |
RMSD bond angle | 28.000 * |
Data reduction software | DENZO |
Data scaling software | Agrovata |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.069 | 0.254 |
Number of reflections | 33093 | |
<I/σ(I)> | 8.1 | 3 |
Completeness [%] | 96.6 | 93.2 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | pH 6.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 19 (%(w/v)) | |
2 | 1 | reservoir | acetate | 0.1 (M) | |
3 | 1 | reservoir | 0.2 (M) |