1LNM
ANTICALIN DIGA16 IN COMPLEX WITH DIGITOXIGENIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-26 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.129, 63.874, 39.329 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 48.800 - 1.900 |
| R-factor | 0.20637 |
| Rwork | 0.204 |
| R-free | 0.24454 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1lke |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.322 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.530 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 13430 | |
| <I/σ(I)> | 11.65 | 2.62 |
| Completeness [%] | 90.8 | 94 |
| Redundancy | 4.31 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 0.1-M hepes, 10% isopropanol, 19% peg 4000, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
