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 |
