3HCR
Human Ferrochelatase with deuteroporphyrin and Ni 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) | 1.4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.423, 92.935, 109.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.320 - 2.200 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.700 |
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 | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.320 |
Number of reflections | 79568 | |
<I/σ(I)> | 23.2 | 3.3 |
Completeness [%] | 91.9 | 75.1 |
Redundancy | 5 | 3 |
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 |