3I0T
Sulfur-SAD at long wavelength: Structure of BH3703 from Bacillus halodurans
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 2.26864 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.469, 81.474, 92.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.030 - 2.270 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.23800 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.291 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.030 | 50.000 | 2.350 |
High resolution limit [Å] | 2.270 | 4.890 | 2.270 |
Rmerge | 0.059 | 0.049 | 0.197 |
<I/σ(I)> | 37.354 | ||
Completeness [%] | 99.1 | 99.7 | 90.9 |
Redundancy | 6.9 | 7.4 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | (NH4)2SO4 2.0 M, Tris pH 7.5, LiSO4 0.2M, Vapor diffusion, Sitting drop, temperature 298K |