6CK7
Crystal structure of a peptide deformylase from Legionella pneumophila bound to actinonin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-07 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.650, 132.060, 90.380 |
Unit cell angles | 90.00, 103.64, 90.00 |
Refinement procedure
Resolution | 43.391 - 1.650 |
R-factor | 0.1826 |
Rwork | 0.182 |
R-free | 0.20780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6caz |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.391 | 43.391 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.036 | 0.022 | 0.311 |
Rmeas | 0.044 | 0.026 | 0.396 |
Total number of observations | 377650 | ||
Number of reflections | 119433 | 1366 | 8163 |
<I/σ(I)> | 15.82 | 36.44 | 2.48 |
Completeness [%] | 97.9 | 96.6 | 91 |
Redundancy | 3.162 | 3.257 | 2.207 |
CC(1/2) | 0.999 | 0.999 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 16.2 mg/mL LepnA.00882.a.B1.PW38390 + 2 mM actinonin against Wiz III/IV screen condition C6 (25.5% PEG4000, 0.17 M ammonium, 15% glycerol), cryoprotection: direct, crystal tracking ID 297899c6, unique puck ID iap4-1 |