7QZ9
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.911650 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.377, 34.969, 68.107 |
Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
Resolution | 43.390 - 2.310 |
R-factor | 0.2324 |
Rwork | 0.229 |
R-free | 0.28950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f8b |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.390 | 43.390 | 2.390 |
High resolution limit [Å] | 2.310 | 8.930 | 2.310 |
Rmerge | 0.041 | 0.016 | 1.463 |
Rmeas | 0.049 | 0.020 | 1.719 |
Rpim | 0.026 | 0.011 | 0.895 |
Total number of observations | 36134 | 582 | 3526 |
Number of reflections | 10549 | 199 | 1001 |
<I/σ(I)> | 9 | 28.7 | 0.6 |
Completeness [%] | 97.8 | 96.6 | 95.1 |
Redundancy | 3.4 | 2.9 | 3.5 |
CC(1/2) | 1.000 | 0.999 | 0.415 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 293 | Protein solution: 6 mg/ml in 20 mM Tris-HCl, pH 8.0, 300 mM NaCl. Reservoir solution: 100 mM SPG buffer, pH 6.1, 25% PEG 1500 |