1OW3
Crystal Structure of RhoA.GDP.MgF3-in Complex with RhoGAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.490, 71.400, 91.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.800 |
| R-factor | 0.18774 |
| Rwork | 0.186 |
| R-free | 0.22000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tx4 |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 * | 0.401 * |
| Total number of observations | 218823 * | |
| Number of reflections | 40618 | |
| <I/σ(I)> | 17.5 | 3.7 |
| Completeness [%] | 99.6 * | 99.9 * |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 291 | Rittinger, K., (1997) Nature, 389, 758. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG2000 MME | 18 (%) | |
| 10 | 1 | drop | 10 (mM) | ||
| 2 | 1 | reservoir | MES | 100 (mM) | |
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | reservoir | dithiothreitol | 3 (mM) | |
| 5 | 1 | reservoir | 3 (mM) | ||
| 6 | 1 | reservoir | ammonium sulfate | 114 (mM) | |
| 7 | 1 | drop | protein | 0.400 (mM) | |
| 8 | 1 | drop | Tris-HCl | 20 (mM) | |
| 9 | 1 | drop | 1 (mM) |
