6R1L
Crystal structure of LmrR with bound copper phenanthroline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-09 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9660 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 34.851, 34.851, 177.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.198 - 2.095 |
R-factor | 0.2063 |
Rwork | 0.201 |
R-free | 0.24840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f8c |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14rc1_3161) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.850 | 34.850 | 2.160 |
High resolution limit [Å] | 2.090 | 8.890 | 2.090 |
Rmerge | 0.092 | 0.050 | 0.932 |
Rmeas | 0.097 | 0.054 | 0.984 |
Rpim | 0.032 | 0.019 | 0.312 |
Number of reflections | 7167 | 135 | 556 |
<I/σ(I)> | 14.8 | ||
Completeness [%] | 99.8 | 99.7 | 98.3 |
Redundancy | 9.2 | 6.7 | 9.4 |
CC(1/2) | 0.998 | 0.999 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 100 mM cacodylate, 300 mM sodium acetate, 25% PEG 200 MME, 5 mM Cu-phenanthroline |