3QBM
Crystal structure of a TetR transcriptional regulator (Caur_2221) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.80 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 | 2010-09-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537,0.9796,0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.335, 106.449, 45.577 |
Unit cell angles | 90.00, 110.94, 90.00 |
Refinement procedure
Resolution | 27.255 - 1.800 |
R-factor | 0.1672 |
Rwork | 0.165 |
R-free | 0.21320 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.465 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.255 | 27.255 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.033 | 0.539 | |
Total number of observations | 965 | 6109 | |
Number of reflections | 34688 | ||
<I/σ(I)> | 8.6 | 18 | 2.2 |
Completeness [%] | 97.3 | 92.6 | 98.9 |
Redundancy | 2.4 | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M MgCl2, 20.0% PEG-8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |