3HCO
Human ferrochelatase with Cd and protoporphyrin IX 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 | 86.266, 92.827, 109.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.190 - 1.800 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.25152 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.759 |
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 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.064 | 0.260 |
Number of reflections | 81244 | |
<I/σ(I)> | 37.5 | 6.2 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.05 ammonium sulfate, Bis-Tris pH 6.5, 20% pentaerththritolethyoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |