6MFW
Crystal structure of a 4-domain construct of LgrA in the substrate donation state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.370, 133.870, 162.099 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.333 - 2.500 |
R-factor | 0.2021 |
Rwork | 0.200 |
R-free | 0.24350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5es5 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.672 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.333 | 2.580 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 50890 | 4629 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 295 | Protein + 2.5 mM AMPcPP + 2.5 mM valine + 2 mM N5-fTHF in 2.5 mM magnesium chloride, 15% PEG4000, 100 mM Tris, pH 7.78, 25 mM Tris, pH 7.5, 100 mM sodium chloride equilibrated against a reservoir containing 2.5 mM magnesium chloride, 18% PEG4000, 150 mM sodium chloride, 100 mM Tris, pH 7.7, drops streak-seeded from a seed stock of LgrA (F-A-PCP-C) crystals |