6S2V
Structure of the N-terminal catalytic region of T. thermophilus Rel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.008 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 105.737, 105.737, 241.455 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.770 - 2.960 |
R-factor | 0.224 |
Rwork | 0.221 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vj7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | Rosetta |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.770 | 3.120 |
High resolution limit [Å] | 2.960 | 2.960 |
Rmerge | 0.210 | 1.690 |
Rpim | 0.060 | 0.520 |
Number of reflections | 21371 | 401 |
<I/σ(I)> | 14.38 | |
Completeness [%] | 93.7 | |
Redundancy | 13.9 | |
CC(1/2) | 0.996 | 0.611 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Sodium bromide 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350 |