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 |