4GLJ
Crystal structure of methylthioadenosine phosphorylase in complex with rhodamine B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.94 |
| Spacegroup name | P 63 |
| Unit cell lengths | 80.260, 80.260, 81.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.15681 |
| Rwork | 0.155 |
| R-free | 0.20421 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4glf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.042 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.082 | 0.342 |
| Number of reflections | 22360 | |
| <I/σ(I)> | 14.6 | 4 |
| Completeness [%] | 95.4 | 75.3 |
| Redundancy | 7.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30%PPG400, 75mM MgCl2, BIS-TRIS, 10mM rhodamine B , VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.5 |
