2QQA
Crystal Structure of DtxR(E9A C102D) Complexed with Nickel(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 61.755, 61.755, 104.557 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.860 - 2.100 |
| R-factor | 0.19667 |
| Rwork | 0.194 |
| R-free | 0.25599 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p92 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.221 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.087 | 0.600 |
| Number of reflections | 13090 | |
| <I/σ(I)> | 12 | 6.24 |
| Completeness [%] | 98.4 | 96.67 |
| Redundancy | 17.9 | 16.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Sodium Phosphate, 20% PEG 3350, 5 mM Nickel Chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
