3FYR
Crystal structure of the sporulation histidine kinase inhibitor Sda from Bacillus subtilis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97945, 0.97959, 0.94945 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 36.972, 36.972, 167.173 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.690 - 1.970 |
| R-factor | 0.238 |
| Rwork | 0.234 |
| R-free | 0.30400 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.074 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.10) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.060 | 0.564 |
| Number of reflections | 8936 | |
| <I/σ(I)> | 14.873 | 2 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | equal volumes of protein solution (7.5 mg/ml) and well solution (0.1M MES, pH 6.3, 15% (w/v) PEG 5000MME) were combined., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
