1XCV
Crystal Structure Of (H79AC102D)Dtxr complexed with Nickel(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2001-04-20 |
| Detector | BRANDEIS |
| Wavelength(s) | 1.0409 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.082, 63.082, 105.987 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.950 - 2.100 |
| R-factor | 0.279 |
| Rwork | 0.279 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tdx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.460 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.049 | 0.210 |
| Number of reflections | 13359 | |
| <I/σ(I)> | 10.7 | 2.9 |
| Completeness [%] | 90.4 | 96.31 |
| Redundancy | 5.05 | 3.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | ammonium sulfate, PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
