5XMG
Crystal structure of PA3488 from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9788 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 66.390, 66.390, 363.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.722 - 2.800 |
R-factor | 0.2175 |
Rwork | 0.215 |
R-free | 0.26710 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.422 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.070 | 0.588 |
Number of reflections | 22110 | 1661 |
<I/σ(I)> | 24.2 | 3.71 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.1 | |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.05 M Ammonium sulfate , 0.05 M BIS-TRIS pH 6.5, 30% v/v Pentaerythritol ethoxylate (15/4 EO/OH) |