7NRR
The structure of the SBP TarP_Csal in complex with caffeate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97258, 0.97841, 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.730, 119.540, 61.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.468 - 1.670 |
| Rwork | 0.206 |
| R-free | 0.26520 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.499 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.470 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.079 | 0.568 |
| Rpim | 0.029 | 0.346 |
| Number of reflections | 70139 | 4567 |
| <I/σ(I)> | 18.4 | 2 |
| Completeness [%] | 98.6 | 88.8 |
| Redundancy | 10.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 0.2 M MgCl2, 0.1 M MES pH 6.0 and 20% (w/v) PEG 6000 |
