3CLO
Crystal structure of putative transcriptional regulator containing a LuxR DNA binding domain (NP_811094.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.04 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-12 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162, 0.97964 |
Spacegroup name | H 3 2 |
Unit cell lengths | 233.650, 233.650, 125.273 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.450 - 2.040 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.21700 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.301 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.450 | 48.450 | 2.110 |
High resolution limit [Å] | 2.040 | 4.380 | 2.040 |
Rmerge | 0.095 | 0.052 | 0.998 |
Number of reflections | 82770 | 8555 | 7915 |
<I/σ(I)> | 10.2 | 24.8 | 1.83 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5.63 | 5.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | NANODROP, 4.3M NaCl, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |