1S30
X-ray crystal structure of Desulfovibrio vulgaris Rubrerythrin with displacement of iron by zinc at the diiron Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.7 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.748, 80.261, 99.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.710 - 2.050 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lkm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.710 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.070 | 0.112 |
| Number of reflections | 20177 | |
| <I/σ(I)> | 53.5 | 12 |
| Completeness [%] | 86.1 | 39.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | PEG 1450, Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
