7NQG
The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-29 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.670, 50.500, 142.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.647 - 1.100 |
| Rwork | 0.118 |
| R-free | 0.13840 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.817 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.500 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.050 | 0.436 |
| Rpim | 0.023 | 0.328 |
| Number of reflections | 113835 | 7978 |
| <I/σ(I)> | 17 | 2.2 |
| Completeness [%] | 99.6 | 96.1 |
| Redundancy | 6.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 0.1 M Tris-HCl pH 8 and 20 % (w/v) PEG 6000 (+6 mM coumarate - not bound) |
