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 |
