3B6C
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with (S)-DNPA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.969, 79.396, 103.453 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.850 - 2.300 |
| R-factor | 0.24605 |
| Rwork | 0.244 |
| R-free | 0.28703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2opt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.920 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CCP4 (6.0.0) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.230 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.047 | 0.211 |
| Number of reflections | 19458 | |
| <I/σ(I)> | 17.6 | 4.3 |
| Completeness [%] | 92.1 | 95.7 |
| Redundancy | 4.63 | 4.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 14% PEG4000, 91mM sodium acetate, 45mM Bis-Tris, 23mM KCl, 9.1mM taurine, 4.6mM Tris, 0.45mM DTT and, after dehydration, less than 100 ug (S)-DNPA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
