3BS2
Crystal Structure of Monomine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.399, 56.592, 59.033 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.860 - 1.150 |
| R-factor | 0.1689 |
| Rwork | 0.168 |
| R-free | 0.19298 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.124 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.860 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.072 | 0.274 |
| Number of reflections | 44055 | |
| <I/σ(I)> | 10.7 | 4 |
| Completeness [%] | 99.7 | 98.4 |
| Redundancy | 6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 2M Ammonium Sulfate, Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
