1OWR
CRYSTAL STRUCTURE OF HUMAN NFAT1 BOUND MONOMERICALLY TO DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 297 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.646, 94.849, 112.788 |
| Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| Rwork | 0.241 |
| R-free | 0.27300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a02 |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 3.070 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.091 | |
| Number of reflections | 39696 | |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 96.2 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 16 * | sodium cacodylate, magnesium chloride, peg 3000, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | magnesium chloride | ||
| 3 | 1 | 1 | peg 3000 | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | sodium cacodylate | ||
| 6 | 1 | 2 | magnesium chloride | ||
| 7 | 1 | 2 | peg 3000 | ||
| 8 | 1 | 2 | H2O |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 2 | 1 | drop | dithiothreitol | 1 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | sodium cacodylate | 50 (mM) | pH6.3 |
| 5 | 1 | reservoir | 10 (mM) | ||
| 6 | 1 | reservoir | PEG3000 | 16 (%(w/v)) |
