6QVA
Crystal structure of a CHAD domain from Chlorobium tepidum in complex with inorganic polyphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.999856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.400, 97.031, 106.397 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 2.050 |
| R-factor | 0.20997 |
| Rwork | 0.208 |
| R-free | 0.25483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e0s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.397 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 2.170 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmeas | 0.155 | 2.350 |
| Number of reflections | 22776 | 3576 |
| <I/σ(I)> | 14.1 | 1.05 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 13.3 | 13.2 |
| CC(1/2) | 1.000 | 0.430 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.4 M (NH4)3PO4 |
