3HCP
Human ferrochelatase with Mn and deuteroporphyrin bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 86.266 |
| 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 | 87.574, 93.687, 109.483 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.830 - 2.000 |
| R-factor | 0.17153 |
| Rwork | 0.170 |
| R-free | 0.20129 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.020 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.260 |
| Number of reflections | 116202 | |
| <I/σ(I)> | 32.8 | 5.6 |
| Completeness [%] | 98.8 | 98.4 |
| Redundancy | 8 | 5 |
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, 20% pentaerythritolethyloxylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
