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 |