3PAS
Crystal structure of a TetR family transcription regulator (Maqu_1417) from MARINOBACTER AQUAEOLEI VT8 at 1.90 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-24 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.118, 106.180, 117.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.134 - 1.900 |
R-factor | 0.1693 |
Rwork | 0.167 |
R-free | 0.21070 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.456 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.134 | 29.134 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.063 | 0.022 | 0.580 |
Number of reflections | 66710 | 12700 | 12888 |
<I/σ(I)> | 10.07 | 30.6 | 1.5 |
Completeness [%] | 98.8 | 98.3 | 98.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 40.0% 1,2-propanediol, 0.1M Acetate pH 4.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |