1NC4
Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Gd-DOTA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.569, 82.239, 160.934 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.390 - 2.250 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gig |
| RMSD bond length | 0.013 |
| RMSD bond angle | 28.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.089 | 0.257 |
| Total number of observations | 126214 * | |
| Number of reflections | 39939 | 3602 * |
| <I/σ(I)> | 14.3 | 5.07 |
| Completeness [%] | 91.0 | 83.4 |
| Redundancy | 3.16 | 2.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 * | PEG 8000, HEPES, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
| 2 | 1 | reservoir | PEG8000 | 18-20 (%) | |
| 3 | 1 | drop | Fab | 9.7 (mg/ml) |
