3BU9
Selenomethionine derivative of monomine L57,63,87,146M mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.281, 56.547, 58.747 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.760 - 1.400 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.21500 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.237 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.760 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.311 |
| Number of reflections | 45974 | |
| <I/σ(I)> | 11.2 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 2M ammonium sulfate, 100 mM Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
