5WSF
Crystal structure of a cupin protein (tm1459) in osmium (Os)-substituted form II
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 | 2015-05-11 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.488, 49.014, 64.431 |
| Unit cell angles | 65.45, 83.58, 78.79 |
Refinement procedure
| Resolution | 50.000 - 1.110 |
| R-factor | 0.1473 |
| Rwork | 0.147 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vj2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.016 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.130 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.088 | 0.540 |
| Number of reflections | 153044 | |
| <I/σ(I)> | 17.5 | 2.5 |
| Completeness [%] | 94.8 | 92.2 |
| Redundancy | 3.8 | 4 |
| CC(1/2) | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25% w/v polyethylene glycol 1500, 0.1M MES |
