7LNC
X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 3 (merged)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.88557 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.824, 58.824, 151.163 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.270 - 1.220 |
R-factor | 0.1365 |
Rwork | 0.136 |
R-free | 0.14700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7lfg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.921 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.270 | 1.240 |
High resolution limit [Å] | 1.220 | 1.220 |
Rmerge | 0.206 | |
Rpim | 0.019 | 1.605 |
Number of reflections | 79907 | 4009 |
<I/σ(I)> | 26.6 | 1.2 |
Completeness [%] | 100.0 | 99.5 |
Redundancy | 112 | 100.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 24% Na K Tartrate (w/v), 15% ethylene glycol (v/v), and 0.1 M BisTris Propane |