6JFW
Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97923 |
Spacegroup name | P 1 |
Unit cell lengths | 28.436, 47.727, 99.691 |
Unit cell angles | 89.98, 90.03, 90.04 |
Refinement procedure
Resolution | 28.436 - 2.002 |
R-factor | 0.1919 |
Rwork | 0.190 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2k1s |
RMSD bond length | 0.005 |
RMSD bond angle | 0.772 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 34416 | |
<I/σ(I)> | 13.043 | |
Completeness [%] | 97.8 | |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Ammonium sulfate, 0.1M Sodium acetate (pH 4.6), 25% w/v PEG 4000 |