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 (%) |