7QZ5
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
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 | 2015-05-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.972420 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.624, 35.494, 70.914 |
Unit cell angles | 90.00, 95.16, 90.00 |
Refinement procedure
Resolution | 35.310 - 1.800 |
R-factor | 0.22 |
Rwork | 0.218 |
R-free | 0.24980 |
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] | 43.570 | 43.570 | 1.840 |
High resolution limit [Å] | 1.800 | 9.010 | 1.800 |
Rmerge | 0.032 | 0.031 | 1.041 |
Rmeas | 0.039 | 0.038 | 1.251 |
Rpim | 0.022 | 0.023 | 0.686 |
Total number of observations | 72652 | 549 | 4014 |
Number of reflections | 23803 | 200 | 1326 |
<I/σ(I)> | 8.3 | 14.6 | 1.1 |
Completeness [%] | 98.9 | 93 | 94.8 |
Redundancy | 3.1 | 2.7 | 3 |
CC(1/2) | 0.999 | 0.997 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Protein solution: 6 mg/ml in 20 mM Tris-HCl, pH 8.0, 300 mM NaCl. Reservoir solution: 100 mM HEPES, pH 7.0, 200 mM NH4Cl, 20% PEG 6000 |