6ELF
Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetic acid as ligand
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 | 2014-05-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.960, 63.410, 64.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.969 - 1.832 |
R-factor | 0.1792 |
Rwork | 0.177 |
R-free | 0.21670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tro |
RMSD bond length | 0.013 |
RMSD bond angle | 1.202 |
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] | 34.969 | 34.969 | 1.880 |
High resolution limit [Å] | 1.830 | 8.190 | 1.830 |
Rmerge | 0.093 | 0.052 | 2.186 |
Rmeas | 0.098 | 0.055 | 2.292 |
Number of reflections | 20421 | 269 | 1421 |
<I/σ(I)> | 17.67 | 43.49 | 1.21 |
Completeness [%] | 99.5 | 98.5 | 95.1 |
Redundancy | 12.535 | 11.052 | 11.14 |
CC(1/2) | 0.998 | 0.997 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES pH 6.5 12 % PEG 20000 |