3NRG
Crystal structure of a TetR family transcriptional regulator (Caur_2714) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.56 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97951 |
Spacegroup name | I 41 |
Unit cell lengths | 204.933, 204.933, 57.218 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.536 - 2.560 |
R-factor | 0.209 |
Rwork | 0.207 |
R-free | 0.24300 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 0.560 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.536 | 2.650 | |
High resolution limit [Å] | 2.560 | 5.480 | 2.560 |
Rmerge | 0.104 | 0.039 | 0.602 |
Number of reflections | 38398 | 4069 | 3754 |
<I/σ(I)> | 9.24 | 18.1 | 2.2 |
Completeness [%] | 99.0 | 99.2 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.71 | 277 | 25.6% 2-propanol, 0.1M sodium acetate pH 4.71, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |