5OE3
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-23 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.533, 84.448, 139.011 |
Unit cell angles | 90.00, 92.60, 90.00 |
Refinement procedure
Resolution | 48.708 - 1.430 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.740 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12rc2_2821) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.710 | 48.710 | 1.450 |
High resolution limit [Å] | 1.430 | 7.830 | 1.430 |
Rmerge | 0.160 | 0.102 | 1.008 |
Rmeas | 0.173 | 0.110 | 1.092 |
Rpim | 0.067 | 0.042 | 0.413 |
Number of reflections | 304224 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 6.6 | 6.6 | 6.9 |
CC(1/2) | 0.993 | 0.993 | 0.637 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 100 mM tri-sodium citrate (pH 6.3), 200 mM ammonium acetate, 24.5% PEG3350 |