6ELG
Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetonitrile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.014, 63.468, 65.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.090 - 1.380 |
R-factor | 0.1449 |
Rwork | 0.143 |
R-free | 0.17650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tro |
RMSD bond length | 0.010 |
RMSD bond angle | 0.994 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.090 | 42.090 | 1.410 |
High resolution limit [Å] | 1.380 | 6.150 | 1.380 |
Rmerge | 0.061 | 0.019 | 0.802 |
Rmeas | 0.067 | 0.021 | 0.881 |
Number of reflections | 47916 | 619 | 3308 |
<I/σ(I)> | 16.67 | 64.61 | 1.79 |
Completeness [%] | 99.6 | 99.5 | 95 |
Redundancy | 6.28 | 6.405 | 5.636 |
CC(1/2) | 0.999 | 0.999 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Ammonium Formate 20% PEG 3350 |