7NSW
The structure of the SBP TarP_Csal in complex with coumarate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91731 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 82.170, 119.940, 62.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.250 - 1.670 |
| Rwork | 0.197 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7nrr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.643 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.250 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.114 | 1.145 |
| Rpim | 0.049 | 0.560 |
| Number of reflections | 71530 | 5218 |
| <I/σ(I)> | 9.8 | 1.4 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | 0.2 M MgCl2, 0.1 M Hepes pH 7.0 and 25 % (w/v) PEG 6000 |
