3HCN
Hg and protoporphyrin bound Human Ferrochelatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 86.479 |
| Detector technology | CCD |
| Collection date | 2008-02-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.479, 92.964, 109.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.130 - 1.600 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.082 | 0.230 |
| Number of reflections | 224027 | |
| <I/σ(I)> | 34.2 | 4.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 6.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.05 M Ammonium Sulfate, 0.1 M Bis-Tris pH 6.5, 20 % pentaerythritolethyloxylate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
