3NHT
Crystal structure of the AnSt-D7L1-U46619 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.932, 40.977, 68.416 |
| Unit cell angles | 90.00, 110.70, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.450 |
| R-factor | 0.1689 |
| Rwork | 0.168 |
| R-free | 0.19290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 2.181 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.000 | 24.000 | 1.470 |
| High resolution limit [Å] | 1.450 | 3.930 | 1.450 |
| Rmerge | 0.040 | 0.026 | 0.179 |
| Number of reflections | 53547 | ||
| <I/σ(I)> | 22.8 | ||
| Completeness [%] | 99.9 | 98.9 | 100 |
| Redundancy | 4.7 | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG 3000, 0.2M lithium sulfate, 0.1M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
