7NR2
The structure of the SBP TarP_Sse in complex with coumarate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918, 0.97938 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.840, 88.080, 96.580 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 50.496 - 2.130 |
| Rwork | 0.180 |
| R-free | 0.23630 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.788 |
| Data reduction software | XDS (xia2) |
| Data scaling software | XSCALE (xia2) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.500 | 2.190 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.056 | 0.432 |
| Rpim | 0.062 | 0.343 |
| Number of reflections | 77509 | 5746 |
| <I/σ(I)> | 12.5 | 2.3 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.25 | 290 | 0.2 M NaCl, 0.1 M sodium cacodylate pH 6.25 and 1.8 M ammonium sulphate |
