1YDM
X-Ray structure of Northeast Structural Genomics target SR44
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97859,0.97897,0.97243 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 85.302, 44.276, 85.296 |
| Unit cell angles | 90.00, 104.99, 90.00 |
Refinement procedure
| Resolution | 28.350 - 2.500 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.30400 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.061 | 0.419 |
| Number of reflections | 18301 | |
| <I/σ(I)> | 12.5 | 2.1 |
| Completeness [%] | 75.5 | |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 26% PEG8000, 50 mM Tris, 0.2M AmSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
