3GLX
Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03313 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.800, 63.800, 108.165 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.650 - 1.850 |
| R-factor | 0.224 |
| Rwork | 0.221 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qq9 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.667 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.079 | 0.492 |
| Number of reflections | 22293 | |
| <I/σ(I)> | 26.628 | 3.5 |
| Completeness [%] | 99.2 | 92.2 |
| Redundancy | 10.4 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.95 M Sodium/Potasium Phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
