3IF1
Crystal structure of 237mAb in complex with a GalNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002+ |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-06-10 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 279.350, 38.420, 95.990 |
| Unit cell angles | 90.00, 109.11, 90.00 |
Refinement procedure
| Resolution | 19.930 - 2.390 |
| R-factor | 0.228 |
| Rwork | 0.224 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iet |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.846 |
| Data scaling software | d*TREK |
| Refinement software | PHENIX (1.4_4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.930 | 19.930 | 2.480 |
| High resolution limit [Å] | 2.390 | 5.120 | 2.390 |
| Rmerge | 0.073 | 0.046 | 0.271 |
| Total number of observations | 13926 | 12657 | |
| Number of reflections | 38606 | ||
| <I/σ(I)> | 8.4 | 15.1 | 3.3 |
| Completeness [%] | 99.0 | 98.7 | 98.5 |
| Redundancy | 3.42 | 3.36 | 3.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, ZnCl2, MgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
