5OE5
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 3)
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 21 21 2 |
Unit cell lengths | 69.700, 84.204, 64.237 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.236 - 1.740 |
R-factor | 0.2302 |
Rwork | 0.228 |
R-free | 0.27680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.489 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12rc2_2821) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.240 | 47.240 | 1.770 |
High resolution limit [Å] | 1.740 | 9.040 | 1.740 |
Rmerge | 0.185 | 0.072 | 1.371 |
Rmeas | 0.193 | 0.076 | 1.430 |
Rpim | 0.054 | 0.022 | 0.403 |
Number of reflections | 39169 | ||
<I/σ(I)> | 10.2 | ||
Completeness [%] | 99.3 | 99.3 | 98.7 |
Redundancy | 12.6 | 11 | 12.4 |
CC(1/2) | 0.995 | 0.998 | 0.617 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 100 mM tri-sodium citrate (pH 6.3), 240 mM ammonium acetate, 28.5% PEG 3350 |