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 |