7RNQ
Holo structure of engineered TrpB, 2B9-H275E, from Pyrococcus furiosus in the extended-open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97618 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.013, 82.683, 322.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.003 - 2.102 |
Rwork | 0.214 |
R-free | 0.24780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6am7 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.165 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.065 | 0.684 |
Number of reflections | 89740 | 54391 |
<I/σ(I)> | 11.7 | 1.5 |
Completeness [%] | 99.5 | 93.6 |
Redundancy | 13.4 | 12.7 |
CC(1/2) | 0.995 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 298 | 13-21% PEG3350, 0.1 M HEPES pH 7.85 |