3B81
Crystal structure of predicted DNA-binding transcriptional regulator of TetR/AcrR family (NP_350189.1) from Clostridium acetobutylicum at 2.10 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9798, 0.9537, 0.9796 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 89.967, 89.967, 70.274 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.988 - 2.100 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.23400 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.514 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.988 | 29.988 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.089 | 0.027 | 0.983 |
Total number of observations | 1322 | 8668 | |
Number of reflections | 17429 | ||
<I/σ(I)> | 6 | 23.2 | 0.7 |
Completeness [%] | 100.0 | 97.1 | 100 |
Redundancy | 6.5 | 5.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | NANODROP, 25.0% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K |