4JXH
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97240 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 89.470, 89.470, 89.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.550 - 1.470 |
| R-factor | 0.13531 |
| Rwork | 0.134 |
| R-free | 0.16807 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jmi |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.288 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.550 | 1.508 |
| High resolution limit [Å] | 1.470 | 1.469 |
| Number of reflections | 38676 | |
| Completeness [%] | 99.7 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M MgSO4, 18% PEG 5000 MME, 0.1M TRIS- HCL, PH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
