3T6K
Crystal structure of a putative response regulator (Caur_3799) from Chloroflexus aurantiacus J-10-fl at 1.86 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 | 2011-07-20 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97916,0.91837,0.97876 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 106.503, 106.503, 137.984 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.117 - 1.860 |
R-factor | 0.1605 |
Rwork | 0.160 |
R-free | 0.17650 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.117 | 1.930 | |
High resolution limit [Å] | 1.860 | 4.000 | 1.860 |
Rmerge | 0.144 | 0.041 | 1.300 |
Rmeas | 0.150 | 0.043 | 1.358 |
Total number of observations | 472009 | ||
Number of reflections | 39465 | 4284 | 4052 |
<I/σ(I)> | 15.8 | 48.6 | 2.2 |
Completeness [%] | 99.9 | 99.8 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% polyethylene glycol 3350, 0.2M ammonium sulfate, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |