4PS6
Crystal structure of an inhibitor of vertebrate lysozyme (PA3902) from Pseudomonas aeruginosa PAO1 at 1.25 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-26 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.449, 47.057, 36.389 |
Unit cell angles | 90.00, 96.91, 90.00 |
Refinement procedure
Resolution | 36.126 - 1.250 |
R-factor | 0.1185 |
Rwork | 0.116 |
R-free | 0.16390 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.317 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.126 | 1.290 | |
High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
Rmerge | 0.073 | 0.035 | 0.613 |
Number of reflections | 26432 | 3122 | 650 |
<I/σ(I)> | 15.57 | 43.9 | 1.7 |
Completeness [%] | 84.9 | 97.4 | 23.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.2M ammonium acetate, 30.0% polyethylene glycol 4000, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |