1EMS
CRYSTAL STRUCTURE OF THE C. ELEGANS NITFHIT PROTEIN
Experimental procedure
| Experimental method | TWO WAVELENGTH ANOMALOUS DIFFRACTION |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 1999-07-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0090, 0.9928 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.750, 100.440, 158.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.800 |
| R-factor | 0.181 |
| Rwork | 0.190 |
| R-free | 0.23100 |
| Structure solution method | TWO WAVELENGTH ANOMALOUS DIFFRACTION |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.9) |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.045 | 0.088 |
| Number of reflections | 49928 | |
| <I/σ(I)> | 24.6 | |
| Completeness [%] | 97.9 * | 91.4 * |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | methylpentanediol, sodium chloride, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.5 (mg/ml) | |
| 2 | 1 | drop | Na+-HEPES | 5 (mM) | |
| 3 | 1 | drop | 25 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 2.5 (mM) | |
| 5 | 1 | drop | MPD | 19 (%) | |
| 6 | 1 | reservoir | MPD | 38 (%) |
