4K89
Crystal structure of Pseudomonas aeruginosa strain K solvent tolerant elastase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.990, 90.173, 40.600 |
| Unit cell angles | 90.00, 113.81, 90.00 |
Refinement procedure
| Resolution | 45.090 - 1.390 |
| R-factor | 0.16836 |
| Rwork | 0.167 |
| R-free | 0.19136 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.643 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | auto (MR) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.410 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.074 | 0.612 |
| Number of reflections | 385687 | |
| <I/σ(I)> | 33.358 | 3.66 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | seeding-capillary counter diffusion | 8.7 | 298 | 0.1M sodium citrate tribasic dihydrate pH5.6, 1.0M Ammonium phosphate monobasic, pH 8.7, seeding-capillary counter diffusion, temperature 298K |
