3CHU
Crystal Structure of Di-iron Aurf
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 | 2006-06-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.979, 72.534, 138.792 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.20376 |
| Rwork | 0.201 |
| R-free | 0.26063 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.387 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 28451 | |
| <I/σ(I)> | 33.7 | 10.8 |
| Completeness [%] | 99.3 | 95.3 |
| Redundancy | 6.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 18-22% PEG 8000, 50 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
